4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 79526034

IUPAC4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCN1
InChIInChI=1S/C14H24N2O3/c1-14(7-2-8-16-14)13(19)15-9-10-3-5-11(6-4-10)12(17)18/h10-11,16H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyKOLYJKSHMLHCQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds4

About 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526034) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526034
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCN1
InChIInChI=1S/C14H24N2O3/c1-14(7-2-8-16-14)13(19)15-9-10-3-5-11(6-4-10)12(17)18/h10-11,16H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyKOLYJKSHMLHCQD-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-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

4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030179
cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173484
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104596521
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79526034) is 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCN1.
What is the InChIKey of 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KOLYJKSHMLHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(7-2-8-16-14)13(19)15-9-10-3-5-11(6-4-10)12(17)18/h10-11,16H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).