1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 106982829

IUPAC1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCC(C(=O)O)(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)16(14(19)20)7-8-18(10-16)15(21)17-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHIHXHYRNLDDZFX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.96
Rot. Bonds3

About 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982829) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982829
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCC(C(=O)O)(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)16(14(19)20)7-8-18(10-16)15(21)17-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHIHXHYRNLDDZFX-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983729
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983979
1-[1-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983701
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983964
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982829) is 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is Cc1cccc(NC(=O)N2CCC(C(=O)O)(C(C)C)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is HIHXHYRNLDDZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)16(14(19)20)7-8-18(10-16)15(21)17-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).