AG002KM7

21012-18-0 | 1H-Pyrazole-1-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

AG002KM7

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CAS Number	21012-18-0
Catalog Number	AG002KM7(AGN-PC-0WAIL2)
Chemical Name	1H-Pyrazole-1-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acid
InChI	InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-14-6-4-5-12-14/h4-6,8H,7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChI Key	JPGQESMEFISORC-QMMMGPOBSA-N
MDL Number	MFCD07369855
Molecular Formula	C11H17N3O4
Molecular Weight	255.2704
SMILES	CC(C)(C)OC(=O)N[C@@H](CN1C=CC=N1)C(O)=O
Synonyms	21012-18-0, l-n-boc-3-pyrazol-1-yl-alanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoic acid, Boc-3-(1-pyrazolyl)-Ala-OH, Boc-D-3-Pyrazol-1-yl-alanine, N-(tert-butoxycarbonyl)-3-pyrazol-1-yl-L-alanine, (S)-N-Boc-3-(Pyrazol-1-yl)alanine, N-(tert-butoxycarbonyl)-3-(1H-pyrazol-1-yl)-L-alanine, C11H17N3O4, 348081-42-5, SCHEMBL10246509, CTK8B9914, L-N-Boc-3-pyrazol-1-ylalanine, DTXSID70437586, JPGQESMEFISORC-QMMMGPOBSA-N, (s)-2-tert-butoxycarbonylamino-3-pyrazol-1-yl-propionic acid, N-Boc-3-(1-pyrazolyl)-L-alanine, 0744AB, ANW-63559, MFCD07369855, ZINC12648464, AKOS016003706, AC-9204, AN-7266, AJ-62764, AS-36619, DL-N-BOC-3-PYRAZOL-1-YL-ALANINE, SC-31062, AX8117679, TC-152304, Z5850, X-2931, J-013768, (2S)-2-(tert-butoxycarbonylamino)-3-pyrazol-1-yl-propanoic acid, (S)-2-(tert-butoxycarbonyl)-3-(1H-pyrazol-1-yl)propanoic acid, 1H-Pyrazole-1-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-, BOC-3- -ALA-OH, CID10264334, A13757, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-yl-propanoic Acid, 136086-12-9,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	255.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.274g/mol
Monoisotopic Mass	255.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	93.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

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