1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid

C14H23NO3 — CID 43341471

IUPAC1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-10-6-8-14(9-7-10,13(17)18)15-12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKDSXVRIHSFTHE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds3

About 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid

1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43341471) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID43341471
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-10-6-8-14(9-7-10,13(17)18)15-12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJKDSXVRIHSFTHE-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid (CID 43341471) is 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C2CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is JKDSXVRIHSFTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-6-8-14(9-7-10,13(17)18)15-12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid?
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 253.34 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-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).