5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid

C14H16N2O4 — CID 50874012

IUPAC5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
SMILESCCC(=O)Nc1cccc(N2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C14H16N2O4/c1-2-12(17)15-10-4-3-5-11(7-10)16-8-9(14(19)20)6-13(16)18/h3-5,7,9H,2,6,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyANLCHKOSAHFNMW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.47
Rot. Bonds4

About 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 50874012) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID50874012
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
SMILESCCC(=O)Nc1cccc(N2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C14H16N2O4/c1-2-12(17)15-10-4-3-5-11(7-10)16-8-9(14(19)20)6-13(16)18/h3-5,7,9H,2,6,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyANLCHKOSAHFNMW-UHFFFAOYSA-N
XLogP1.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
CID 95121101
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690553
1-[4-methoxy-3-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50959403
(3S)-1-[4-methoxy-3-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95125142
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid (CID 50874012) is 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid is CCC(=O)Nc1cccc(N2CC(C(=O)O)CC2=O)c1.
What is the InChIKey of 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ANLCHKOSAHFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-12(17)15-10-4-3-5-11(7-10)16-8-9(14(19)20)6-13(16)18/h3-5,7,9H,2,6,8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50874012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).