AG00178U

122442-02-8 | 3-Pyrrolidineacetic acid, (3S)-

AG00178U

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CAS Number	122442-02-8
Catalog Number	AG00178U(AGN-PC-0O0EPA)
Chemical Name	3-Pyrrolidineacetic acid, (3S)-
IUPAC Name	2-[(3S)-pyrrolidin-3-yl]acetic acid
InChI	InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChI Key	OUENRUZPZZFMCA-YFKPBYRVSA-N
MDL Number	MFCD09834147
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	O=C(O)C[C@H]1CNCC1
Synonyms	122442-02-8, (S)-2-(Pyrrolidin-3-yl)acetic acid, 2-[(3S)-pyrrolidin-3-yl]acetic acid, (S)-3-Pyrrolidineacetic acid, homo-beta proline, CHEMBL349005, 3-Pyrrolidineacetic acid, (3S)-, (S)-2-(PYRROLIDIN-3-YL)ACETIC ACID HYDROCHLORIDE, AC1LT42F, [S,(+)]-Homo-beta-proline, DTXSID00363602, KS-000006PW, ZINC4202508, BDBM50013223, RW3881, AKOS006327684, PB34430, QC-3202, RL01014, (S);-2-(Pyrrolidin-3-yl);acetic acid, AJ-48446, AS-50635, BC241278, CS-0052117, Q-2391, Pyrrolidin-3-yl-acetic acid ((S)-(+)-Homo beta Proline), (S)-3-Pyrrolidine acetic acid, 2-pyrrolidin-3-ylacetic Acid, (S)-Pyrrolidine-3-acetic acid, (R)-3-PYRROLIDINEACETIC ACID, ACN-001823, CID1502075,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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