AG004WXP

82834-12-6 | (S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoic acid

AG004WXP

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CAS Number	82834-12-6
Catalog Number	AG004WXP(AGN-PC-0OIR1Z)
Chemical Name	(S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoic acid
EC Number	617-393-5
IUPAC Name	(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
InChI	InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
InChI Key	AUVAVXHAOCLQBF-YUMQZZPRSA-N
MDL Number	MFCD07782126
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	C[C@H](N[C@@H](CCC)C(OCC)=O)C(O)=O
Synonyms	82834-12-6, (S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoic acid, N-[(S)-1-Carbethoxy-1-butyl]-(S)-alanine, N-[(S)-1-Carbethoxybutyl]-(S)-alanine, N-[(S)-ETHOXYCARBONYL-1-BUTYL]-(S)-ALANINE, N-[1-(S)-Ethoxycarbonyl-butyl]-L-alanine, N-((S)-Ethoxycarbonyl-1-butyl)-(S)-alanine, L-Norvaline, N-[(1S)-1-carboxyethyl]-, 1-ethyl ester, n-((s)-1-carbethoxybutyl)-(s)-alanine, AK-78694, n-((s)-ethoxycarbonyl)-(s)-alanine, PubChem21055, KSC448A3H, SCHEMBL300278, CTK3E8033, DTXSID50434230, AUVAVXHAOCLQBF-YUMQZZPRSA-N, (2s)-2-(((s)-1-(ethoxycarbonyl)butyl)amino)propanoic acid, KS-000011EZ, ZINC9489237, ANW-53704, MFCD07782126, AKOS015892676, N-((S)-1-carbethoxybutyl)-L-alanine, RTR-025876, n-((s)ethoxycarbonylbutyl)-(s)-alanine, N-((S)-1-carbetoxybutyl)-(S)-alanine, AJ-59565, n-((s)-1-ethoxycarbonylbutyl)-l-alanine, N963, N-(1-(S)-Ethoxycarbonylbutyl)-L-alanine, AX8012391, ST2402753, FT-0641885, (S)-N-[(S)-1-(ethoxycarbonyl)butyl]alanine, n-((s)ethoxycarbonylbutyl)-(s)-alanine, 98+%, N-[1-(S)-ethoxycarbonyl-1-butyl]-(S)-alanine, 834E126, N-[(2S)-1-Ethoxy-1-oxo-2-pentanyl]-L-alanine, N-[(2S)-1-Ethoxy-1-oxopentan-2-yl]-L-alanine, N-[(S)-1-Ethoxy-1-oxopentane-2-yl]-L-alanine, (S)-N-(1-Carboxyethyl)-L-norvaline 1-Ethyl Ester, Q-201439, (S)-2-((S)-1-ethoxy-1-oxopentan-2-ylamino)propanoic acid, cc-460, C10H19NO4, ACN-052209, CB11564, CID10015159, N-[ -1-Carbethoxy-1-butyl]- -alanine, N-[(S)-ETHOXYCARBONYLBUTYL]-L-ALANINE, N-[(S)-1-Carbethoxy-1-butyl]-L-alanine, N-[1-(S)-Ethoxycarbonylbutyl]-(S)-alanine, (2R)-2-(1-ethoxycarbonylbutylamino)propanoic Acid, (S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoicacid,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	217.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.265g/mol
Monoisotopic Mass	217.131g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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