AG0084OV

1074-79-9 | 1-Acetylpyrrolidine-2-carboxylic acid

AG0084OV

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CAS Number	1074-79-9
Catalog Number	AG0084OV(AGN-PC-0NWNWE)
Chemical Name	1-Acetylpyrrolidine-2-carboxylic acid
IUPAC Name	1-acetylpyrrolidine-2-carboxylic acid
InChI	InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChI Key	GNMSLDIYJOSUSW-UHFFFAOYSA-N
MDL Number	MFCD02678612
Molecular Formula	C7H11NO3
Molecular Weight	157.1671
NSC Number	280718
SMILES	O=C(C1N(C(C)=O)CCC1)O
Synonyms	1-acetylproline, N-acetylproline, N-acetylproline, (L)-isomer, 1074-79-9, 1-acetylpyrrolidine-2-carboxylic acid, N-Acetyl-DL-proline, 1-Acetylproline, Ac-DL-Pro-OH, Acetyl-L-Proline, 1-Acetyl-pyrrolidine-2-carboxylic acid, Proline, 1-acetyl-, L-, DL-Acetylproline, N-Acetyl-L-proline (N-Ac-L-Pro), N-acetyl dl-proline, proline, 1-acetyl-, 1-Acetyl-DL-proline, Acetyl-?DL-?proline, n-(acetyl)-dl-proline, Spectrum_000983, ACMC-20ai8o, SpecPlus_000045, AC1Q1KDO, Maybridge3_002087, Spectrum2_000013, Spectrum3_001044, Spectrum4_001184, Spectrum5_001731, AC1L86VR, BSPBio_002568, KBioGR_001847, KBioSS_001463, MLS002207143, DivK1c_006141, SCHEMBL428476, SPECTRUM1500704, SPBio_000045, CHEMBL1881755, CTK9A1115, KBio1_001085, KBio2_001463, KBio2_004031, KBio2_006599, KBio3_001788, GNMSLDIYJOSUSW-UHFFFAOYSA-N, HMS1921E16, ALBB-027361, KS-00000KX8, CCG-39982, MFCD02678612, NSC280718, SBB005365, 1-Acetyl-2-pyrrolidinecarboxylic acid, AKOS000264132, AKOS016344118, MCULE-9022800854, NSC-280718, TRA0007609, IDI1_013474, NCGC00094840-01, NCGC00094840-02, NCGC00094840-03, AC-15857, AK-44835, AK-71529, AK-81085, DS-14918, SC-42033, SMR001306727, ST057472, SY008844, AB0088639, DB-040759, BB 0259342, FT-0633299, R1902, MFCD00020837 (98%), I04-0191, I05-0139, I14-5048, BRD-A58587171-001-04-9, Z57472782, F8882-4260, InChI=1/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11, N-Acetylproline, N-Acetyl-L-proline, Acetylproline, Ac-Pro-OH, AC-D-PRO-OH, Proline, L-, L-Proline, 1-acetyl-, Proline, 1-acetyl- (9CI), C7-H11-N-O3, 68-95-1, CID322640, (2R)-1-acetylpyrrolidine-2-carboxylic acid, (S)-1-Acetyl-pyrrolidine-2-carboxylic acid, 59785-68-1, N/A,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.169g/mol
Monoisotopic Mass	157.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number