2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 103234715

IUPAC2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CCCC(NC2CCC2C(=O)O)C1C
InChIInChI=1S/C13H23NO2/c1-8-4-3-5-11(9(8)2)14-12-7-6-10(12)13(15)16/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyABZJCNZBFMWAFH-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.26
Rot. Bonds3

About 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 103234715) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
PubChem CID103234715
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CCCC(NC2CCC2C(=O)O)C1C
InChIInChI=1S/C13H23NO2/c1-8-4-3-5-11(9(8)2)14-12-7-6-10(12)13(15)16/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyABZJCNZBFMWAFH-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069936
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
3-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 86786408
cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
CID 129374130
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
(1R,2R,3R,4R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124717535
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
5-amino-N-(2,3-dimethylcyclohexyl)-2-methylcyclohexane-1-carboxamide
CID 62781644
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 64761066

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (CID 103234715) is 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is CC1CCCC(NC2CCC2C(=O)O)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ABZJCNZBFMWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8-4-3-5-11(9(8)2)14-12-7-6-10(12)13(15)16/h8-12,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103234715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).