1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid

C12H21NO2 — CID 81167483

IUPAC1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CCC(NC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-3-5-10(6-4-9)13-12(11(14)15)7-2-8-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyHDXKCKOYMCTBLI-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.16
Rot. Bonds3

About 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid

1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81167483) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81167483
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CCC(NC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-3-5-10(6-4-9)13-12(11(14)15)7-2-8-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyHDXKCKOYMCTBLI-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81168184
1-[(3-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167297
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid (CID 81167483) is 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid is CC1CCC(NC2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is HDXKCKOYMCTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-3-5-10(6-4-9)13-12(11(14)15)7-2-8-12/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).