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

C20H20N2O4 — CID 51521923

IUPAC(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18-10-5-11-22(18)16-9-4-8-15(12-16)20(26)21-17(13-19(24)25)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,21,26)(H,24,25)/t17-/m1/s1
InChIKeyYNTFWXQJZNCNPP-QGZVFWFLSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds6

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

(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid (PubChem CID 51521923) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
PubChem CID51521923
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18-10-5-11-22(18)16-9-4-8-15(12-16)20(26)21-17(13-19(24)25)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,21,26)(H,24,25)/t17-/m1/s1
InChIKeyYNTFWXQJZNCNPP-QGZVFWFLSA-N
XLogP2.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
methyl (3S)-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 51558011
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
CID 119213332
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid (CID 51521923) is (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid is O=C(O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid?
The InChIKey is YNTFWXQJZNCNPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18-10-5-11-22(18)16-9-4-8-15(12-16)20(26)21-17(13-19(24)25)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,21,26)(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid?
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 51521923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).