1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid

C15H25NO3 — CID 61293575

IUPAC1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLVCFSQGNGAZYQX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds3

About 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid

1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61293575) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID61293575
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyLVCFSQGNGAZYQX-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid (CID 61293575) is 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is LVCFSQGNGAZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-7-5-6-10-15(11,14(18)19)16-13(17)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).