1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H16N2O4 — CID 63031650

IUPAC1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(17)10-2-4-12(5-3-10)15-14(20)16-7-6-11(8-16)13(18)19/h2-5,11H,6-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyWVZKPDHCDDUIQR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.83
Rot. Bonds3

About 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031650) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031650
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(17)10-2-4-12(5-3-10)15-14(20)16-7-6-11(8-16)13(18)19/h2-5,11H,6-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyWVZKPDHCDDUIQR-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075376
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075851
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085939
1-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074333
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122079098
1-[[4-(2,2-difluoroethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086163
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63031650) is 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WVZKPDHCDDUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(17)10-2-4-12(5-3-10)15-14(20)16-7-6-11(8-16)13(18)19/h2-5,11H,6-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).