3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid

C14H16N2O4 — CID 168698330

IUPAC3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
SMILESNC(=O)C1CC(=O)N(c2ccc(CCC(=O)O)cc2)C1
InChIInChI=1S/C14H16N2O4/c15-14(20)10-7-12(17)16(8-10)11-4-1-9(2-5-11)3-6-13(18)19/h1-2,4-5,10H,3,6-8H2,(H2,15,20)(H,18,19)
InChIKeyZECIHWGBNJWXEI-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.54
Rot. Bonds5

About 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid

3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid (PubChem CID 168698330) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
PubChem CID168698330
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
SMILESNC(=O)C1CC(=O)N(c2ccc(CCC(=O)O)cc2)C1
InChIInChI=1S/C14H16N2O4/c15-14(20)10-7-12(17)16(8-10)11-4-1-9(2-5-11)3-6-13(18)19/h1-2,4-5,10H,3,6-8H2,(H2,15,20)(H,18,19)
InChIKeyZECIHWGBNJWXEI-UHFFFAOYSA-N
XLogP0.54
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
4-[4-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]butanoic acid
CID 168710489
5-oxo-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 168698340
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid (CID 168698330) is 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid is NC(=O)C1CC(=O)N(c2ccc(CCC(=O)O)cc2)C1.
What is the InChIKey of 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid?
The InChIKey is ZECIHWGBNJWXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-14(20)10-7-12(17)16(8-10)11-4-1-9(2-5-11)3-6-13(18)19/h1-2,4-5,10H,3,6-8H2,(H2,15,20)(H,18,19).
What are the key properties of 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid?
3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 168698330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).