AG003CI3

72580-53-1 | (S)-Pyrrolidine-3-carboxylic acid

AG003CI3

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CAS Number	72580-53-1
Catalog Number	AG003CI3(AGN-PC-0OH581)
Chemical Name	(S)-Pyrrolidine-3-carboxylic acid
IUPAC Name	(3S)-pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChI Key	JAEIBKXSIXOLOL-BYPYZUCNSA-N
MDL Number	MFCD06738463
Molecular Formula	C5H9NO2
Molecular Weight	115.1305
SMILES	OC(=O)[C@H]1CCNC1
Synonyms	(S)-Pyrrolidine-3-carboxylic acid, 72580-53-1, (3S)-3-Pyrrolidinecarboxylic acid, (3S)-pyrrolidine-3-carboxylic acid, L-beta-Proline, (S)-(+)-Pyrrolidine-3-carboxylic Acid, MFCD06738463, 3-Pyrrolidinecarboxylic acid, (3S)-, (S)-Pyrrolidine-3-carboxylicacid, (S)-beta-Proline, (S)-|A-Proline, PubChem11126, AC1LT3UL, (S)-c-3-carboxylic acid, (S)-(+)-?-proline, SCHEMBL825603, CTK2H6935, KS-00000AGQ, DTXSID20363568, (R)-Pyrrolidine-3-carboxylicacid, JAEIBKXSIXOLOL-BYPYZUCNSA-N, 3-Pyrrolidinecarboxylicacid,(3S)-, CS-D0752, ZINC4202415, 3-Pyrrolidinecarboxylicacid, (3S)-, ANW-63723, CP-508, CP0016, HT1109, AKOS008901143, EBD2223498, EBD3313738, (3S)-3-Pyrrolidinecarboxylic acid HCl, (S)-(+)-Pyrrolidine-3-carboxylicAcid, AJ-48400, AN-15630, AN-37424, BC202147, DS-15315, SC-48462, AB0076927, DB-007996, TX-015621, A9436, A9437, AM20100693, FT-0641414, B-1550, P57148, 580P531, 72580-53-1 (S)-pyrrolidine-3-carboxylic acid, W-203638, (S)-(+)-Pyrrolidine-3-carboxylic acid, >=98.0% (NT), UNII-XQ9918NB1D component JAEIBKXSIXOLOL-BYPYZUCNSA-N, -3-Pyrrolidinecarboxylicacid, 3-Pyrrolidinecarboxylic acid, pyrrolidine-3-carboxylic acid, (R)-pyrrolidine-3-carboxylic acid, (3R)-pyrrolidine-3-carboxylic acid, 72580-54-2, CID1501969, C2024, (S)-Pyrrolidine-3-carboxylic acid hydrochloride, 59378-87-9,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	115.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	115.132g/mol
Monoisotopic Mass	115.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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