4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 47003024

IUPAC4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyZQTOWMUIHYMGML-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds4

About 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid

4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 47003024) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID47003024
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeyZQTOWMUIHYMGML-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid (CID 47003024) is 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid is O=C(CC1CCCC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZQTOWMUIHYMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 47003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).