4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 63722176

IUPAC4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCCC1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-3-4-6-12(9)15-14(19)16-7-10(2)11(8-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRTIIGNOREYGMAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds2

About 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63722176) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63722176
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCCC1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-3-4-6-12(9)15-14(19)16-7-10(2)11(8-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRTIIGNOREYGMAV-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64923035
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719906
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63722176) is 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1CCCCC1NC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RTIIGNOREYGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-3-4-6-12(9)15-14(19)16-7-10(2)11(8-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63722176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).