1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 102776316

IUPAC1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)N2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-7-17(13(9)14(19)20)15(21)16-12-5-3-4-11(8-12)10(2)18/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyUUARZIBYJWBUIR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.22
Rot. Bonds3

About 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776316) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776316
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)N2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-7-17(13(9)14(19)20)15(21)16-12-5-3-4-11(8-12)10(2)18/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyUUARZIBYJWBUIR-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781629
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
(2R,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000304
(2S,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843514
4-[(3-acetylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902218
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659

Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102776316) is 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CC(=O)c1cccc(NC(=O)N2CCC(C)C2C(=O)O)c1.
What is the InChIKey of 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is UUARZIBYJWBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-6-7-17(13(9)14(19)20)15(21)16-12-5-3-4-11(8-12)10(2)18/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).