AG00DCXT

49758-35-2 | 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-, (aS)-

AG00DCXT

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CAS Number	49758-35-2
Catalog Number	AG00DCXT(AGN-PC-0S4NOM)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-, (aS)-
IUPAC Name	(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
InChI	InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChI Key	SNLOIIPRZGMRAB-QMMMGPOBSA-N
MDL Number	MFCD08272984
Molecular Formula	C10H11N3O2
Molecular Weight	205.2132
SMILES	O=C(O)[C@@H](N)CC1=CNC2=NC=CC=C21
UNII	72B59WRT3H
Synonyms	7-azatryptophan, 7-azatryptophan, (+-)-isomer, 7-azatryptophan, (S)-isomer, 49758-35-2, L-7-Azatryptophan, 7-Azatryptophan, (S)-2-Amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid, Nz2-Tryptophan, UNII-72B59WRT3H, 72B59WRT3H, (S)-2-Amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-propionic acid, (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid, (2S)-2-AMINO-3-{1H-PYRROLO[2,3-B]PYRIDIN-3-YL}PROPANOIC ACID, 7-aza-L-tryptophan, AC1OCT1P, SCHEMBL249328, CTK4A8405, (aS)-a-amino-1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-, (aS)-, BCP15498, ZINC6093700, MFCD08272984, DB04206, SB14312, AJ-75067, AK167506, FT-0688241, 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine, UNII-26NJJ3M0J5 component SNLOIIPRZGMRAB-QMMMGPOBSA-N, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-aMino-, (S)-, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid,a-amino-,(aS)-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, (alphaS)-, Azatryptophan, CID7000165, 1H-Pyrrolo[2,3-b]pyridine-3-propanoicacid,a-amino-, -, 2-amino-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid, 1137-00-4, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, alpha-amino-, (alphaS)-, 7303-50-6,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	205.085g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	205.217g/mol
Monoisotopic Mass	205.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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