4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 104963862

IUPAC4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-9-14(6-1-7-14)13(19)16-8-10-2-4-11(5-3-10)12(17)18/h10-11H,1-9,15H2,(H,16,19)(H,17,18)
InChIKeyNVQBSHFWPBHTOJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.12
Rot. Bonds5

About 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104963862) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104963862
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESNCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-9-14(6-1-7-14)13(19)16-8-10-2-4-11(5-3-10)12(17)18/h10-11H,1-9,15H2,(H,16,19)(H,17,18)
InChIKeyNVQBSHFWPBHTOJ-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-(aminomethyl)cyclobutanecarbonyl]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

1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
CID 113311729
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 104963862) is 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is NCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCC1.
What is the InChIKey of 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NVQBSHFWPBHTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-9-14(6-1-7-14)13(19)16-8-10-2-4-11(5-3-10)12(17)18/h10-11H,1-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104963862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).