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

C15H26N2O3 — CID 102782299

IUPAC3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1CNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-5-3-4-6-12(10)9-16-15(20)17-8-7-11(2)13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUXZOMCIVIKUHAP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

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

3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102782299) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102782299
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1CNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-5-3-4-6-12(10)9-16-15(20)17-8-7-11(2)13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUXZOMCIVIKUHAP-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781779
3-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782998
3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102782536
(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55012035
3-methyl-1-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782999
3-methyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071782
1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
1-[(1-ethylcyclobutyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114108811
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372
3-methyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071675
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 102782299) is 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CC1CCCCC1CNC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UXZOMCIVIKUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-3-4-6-12(10)9-16-15(20)17-8-7-11(2)13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).