4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid

C16H29NO2 — CID 107430438

IUPAC4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1CCCC(N2CC(C)C(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-11(2)7-13-5-4-6-14(8-13)17-9-12(3)15(10-17)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyNCZZRYZEUIPOFJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid (PubChem CID 107430438) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
PubChem CID107430438
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1CCCC(N2CC(C)C(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-11(2)7-13-5-4-6-14(8-13)17-9-12(3)15(10-17)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyNCZZRYZEUIPOFJ-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid (CID 107430438) is 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid is CC(C)CC1CCCC(N2CC(C)C(C(=O)O)C2)C1.
What is the InChIKey of 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NCZZRYZEUIPOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)7-13-5-4-6-14(8-13)17-9-12(3)15(10-17)16(18)19/h11-15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107430438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).