2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

C17H22N2O4 — CID 124684573

IUPAC2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-3-12(2)19(11-16(21)22)17(23)13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyLMKOWQGBMRAXOV-GFCCVEGCSA-N
MW318.37 g/mol
LogP2.14
Rot. Bonds6

About 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 124684573) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID124684573
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-3-12(2)19(11-16(21)22)17(23)13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyLMKOWQGBMRAXOV-GFCCVEGCSA-N
XLogP2.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid with MolForge

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Related Compounds

N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728202
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727903

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (CID 124684573) is 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is CC[C@@H](C)N(CC(=O)O)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is LMKOWQGBMRAXOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-12(2)19(11-16(21)22)17(23)13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 124684573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).