1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid

C15H23NO3 — CID 81356177

IUPAC1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)C1C2CCCCC21
InChIInChI=1S/C15H23NO3/c17-13(12-10-6-2-3-7-11(10)12)16-15(14(18)19)8-4-1-5-9-15/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyLDLFUEHKOSSNDK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds3

About 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid

1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 81356177) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID81356177
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)C1C2CCCCC21
InChIInChI=1S/C15H23NO3/c17-13(12-10-6-2-3-7-11(10)12)16-15(14(18)19)8-4-1-5-9-15/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyLDLFUEHKOSSNDK-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid (CID 81356177) is 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)C1C2CCCCC21.
What is the InChIKey of 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LDLFUEHKOSSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-13(12-10-6-2-3-7-11(10)12)16-15(14(18)19)8-4-1-5-9-15/h10-12H,1-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid?
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81356177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).