4-(cyclohexylcarbamoylamino)hexanoic acid

C13H24N2O3 — CID 67362603

IUPAC4-(cyclohexylcarbamoylamino)hexanoic acid
SMILESCCC(CCC(=O)O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-2-10(8-9-12(16)17)14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyJWUXABHGZOAQNX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)hexanoic acid

4-(cyclohexylcarbamoylamino)hexanoic acid (PubChem CID 67362603) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)hexanoic acid
PubChem CID67362603
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(cyclohexylcarbamoylamino)hexanoic acid
SMILESCCC(CCC(=O)O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-2-10(8-9-12(16)17)14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyJWUXABHGZOAQNX-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)hexanoic acid?
The IUPAC name of 4-(cyclohexylcarbamoylamino)hexanoic acid (CID 67362603) is 4-(cyclohexylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)hexanoic acid?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)hexanoic acid is CCC(CCC(=O)O)NC(=O)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)hexanoic acid?
The InChIKey is JWUXABHGZOAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-10(8-9-12(16)17)14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(cyclohexylcarbamoylamino)hexanoic acid?
4-(cyclohexylcarbamoylamino)hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 67362603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).