3-(cyclobutylamino)cyclohexane-1-carboxylic acid

C11H19NO2 — CID 65066192

IUPAC3-(cyclobutylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC2CCC2)C1
InChIInChI=1S/C11H19NO2/c13-11(14)8-3-1-6-10(7-8)12-9-4-2-5-9/h8-10,12H,1-7H2,(H,13,14)
InChIKeyMRJSSPCDBOODNU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds3

About 3-(cyclobutylamino)cyclohexane-1-carboxylic acid

3-(cyclobutylamino)cyclohexane-1-carboxylic acid (PubChem CID 65066192) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(cyclobutylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylamino)cyclohexane-1-carboxylic acid
PubChem CID65066192
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(cyclobutylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC2CCC2)C1
InChIInChI=1S/C11H19NO2/c13-11(14)8-3-1-6-10(7-8)12-9-4-2-5-9/h8-10,12H,1-7H2,(H,13,14)
InChIKeyMRJSSPCDBOODNU-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

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CID 82933431
3-(cyclopentylamino)cyclobutane-1-carboxylic acid
CID 117027696
3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid
CID 63564342
3-[(2-methyloxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65066194
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
3-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 63042024
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(cyclobutylamino)cyclohexane-1-carboxylic acid (CID 65066192) is 3-(cyclobutylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(cyclobutylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NC2CCC2)C1.
What is the InChIKey of 3-(cyclobutylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MRJSSPCDBOODNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)8-3-1-6-10(7-8)12-9-4-2-5-9/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 3-(cyclobutylamino)cyclohexane-1-carboxylic acid?
3-(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 3-(cyclobutylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).