AG00IACQ

5817-08-3 | 2-Acetamidopentanedioic acid

AG00IACQ

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CAS Number	5817-08-3
Catalog Number	AG00IACQ(AGN-PC-0WBO5R)
Chemical Name	2-Acetamidopentanedioic acid
EC Number	227-388-6
IUPAC Name	2-acetamidopentanedioic acid
InChI	InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChI Key	RFMMMVDNIPUKGG-UHFFFAOYSA-N
MDL Number	MFCD00063195
Molecular Formula	C7H11NO5
Molecular Weight	189.1659
NSC Number	10854
SMILES	CC(=O)NC(CCC(O)=O)C(O)=O
Synonyms	2-acetamidopentanedioic acid, 5817-08-3, N-Acetyl-DL-glutamic acid, acetylglutamate, DL-Acetylglutamic acid, Glutamic acid, N-acetyl-, N-acetyl-dl-glutamic acid crystalline, N-Ac-Glu-OH, N-Acetyl-DL-glutamicAcid, N-ACETYL D-GLUTAMIC ACID, acetyl-glutamate, DL-Acetylglutamate, N-acetyl-glutamate, ACEGLUMATE, N-acetyl L-glutamate, N-Acetyl-DL-glutamate, N-acetyl-Glutamic acid, 2-acetamidoglutaric acid, 5-norbornene-4-methanol, Maybridge1_002521, N-acetyl L-glutamic acid, ACMC-209a0f, MLS002207281, DivK1c_001273, DL-Glutamic acid, N-acetyl-, SCHEMBL198970, 2-acetamido-L-Glutaraldehydate, AC1L18O3, CHEMBL2142890, 2-(acetylamino)pentanedioic acid, CTK3J7774, HMS548K13, 2-acetamido-L-Glutaraldehydic acid, N-Acetylglutamic gamma-semialdehyde, NSC10854, EINECS 227-388-6, ANW-63213, BBL012280, BTB 13546, MFCD00063195, NSC 10854, NSC-10854, STK803143, AKOS005614049, MCULE-4246221126, MCULE-7234857249, RTR-037162, VZ33055, VZ36490, CDS1_000233, NCGC00094839-01, NCGC00094839-02, AK-47576, AK-87933, SMR001306797, SY017890, U492, DB-053163, N-Acetyl-L-glutamic acid-gamma-semialdehyde, ST2416299, TR-037162, AM20100420, FT-0635867, ST45022118, MFCD00002802 (95%), A831768, I04-0287, 102F8DF7-7489-46B2-80D2-B34561C2DF56, N-Acetyl-L-glutamic acid, acetylglutamic acid, N-acetylglutamic acid, N-Acetylglutamate, acetyl-L-glutamate, Acetyl-L-glutamic acid, Ac-Glu-OH, Glutamic acid, DL-, N-acetyl-L-glutamate, Ac-DL-Glu-OH, AC-D-GLU-OH, L-Glutamic acid, N-acetyl-, C7H11NO5, CID185, DL-Serine methyl ester hydrochloride, 1188-37-0, 19146-55-5,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	189.167g/mol
Monoisotopic Mass	189.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number