6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid

C13H22N2O4 — CID 43447271

IUPAC6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(8-4-5-9-12(17)18)15-13(19)14-10-6-2-1-3-7-10/h10H,1-9H2,(H,17,18)(H2,14,15,16,19)
InChIKeyBBPXMBWNBSWQAA-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.79
Rot. Bonds6

About 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid

6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid (PubChem CID 43447271) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
PubChem CID43447271
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O4/c16-11(8-4-5-9-12(17)18)15-13(19)14-10-6-2-1-3-7-10/h10H,1-9H2,(H,17,18)(H2,14,15,16,19)
InChIKeyBBPXMBWNBSWQAA-UHFFFAOYSA-N
XLogP1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
5-chloro-N-cyclooctylpentanamide
CID 28733608
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60840718
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
CID 9265087

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid (CID 43447271) is 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid is O=C(O)CCCCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid?
The InChIKey is BBPXMBWNBSWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(8-4-5-9-12(17)18)15-13(19)14-10-6-2-1-3-7-10/h10H,1-9H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid?
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid is sourced from PubChem (CID 43447271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).