2-(cyclobutylamino)cyclohexane-1-carboxylic acid

C11H19NO2 — CID 84720939

IUPAC2-(cyclobutylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC1CCC1
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2,(H,13,14)
InChIKeyNERIJMJOYYYPHZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds3

About 2-(cyclobutylamino)cyclohexane-1-carboxylic acid

2-(cyclobutylamino)cyclohexane-1-carboxylic acid (PubChem CID 84720939) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(cyclobutylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)cyclohexane-1-carboxylic acid
PubChem CID84720939
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(cyclobutylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC1CCC1
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2,(H,13,14)
InChIKeyNERIJMJOYYYPHZ-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)cyclopentane-1-carboxamide
CID 104587509
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-(cyanoamino)cyclopentane-1-carboxylic acid
CID 164660205
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 83848967

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(cyclobutylamino)cyclohexane-1-carboxylic acid (CID 84720939) is 2-(cyclobutylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(cyclobutylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC1CCC1.
What is the InChIKey of 2-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The InChIKey is NERIJMJOYYYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 2-(cyclobutylamino)cyclohexane-1-carboxylic acid?
2-(cyclobutylamino)cyclohexane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 84720939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).