8-(cyclohexanecarbonylamino)octanoic acid

C15H27NO3 — CID 10149309

IUPAC8-(cyclohexanecarbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c17-14(18)11-7-2-1-3-8-12-16-15(19)13-9-5-4-6-10-13/h13H,1-12H2,(H,16,19)(H,17,18)
InChIKeyMXKBEZRVLVFBOD-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds9

About 8-(cyclohexanecarbonylamino)octanoic acid

8-(cyclohexanecarbonylamino)octanoic acid (PubChem CID 10149309) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 8-(cyclohexanecarbonylamino)octanoic acid.

Molecular Properties

Compound Name8-(cyclohexanecarbonylamino)octanoic acid
PubChem CID10149309
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name8-(cyclohexanecarbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c17-14(18)11-7-2-1-3-8-12-16-15(19)13-9-5-4-6-10-13/h13H,1-12H2,(H,16,19)(H,17,18)
InChIKeyMXKBEZRVLVFBOD-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexanecarbonylamino)octanoic acid?
The IUPAC name of 8-(cyclohexanecarbonylamino)octanoic acid (CID 10149309) is 8-(cyclohexanecarbonylamino)octanoic acid.
What is the SMILES notation for 8-(cyclohexanecarbonylamino)octanoic acid?
The canonical SMILES for 8-(cyclohexanecarbonylamino)octanoic acid is O=C(O)CCCCCCCNC(=O)C1CCCCC1.
What is the InChIKey of 8-(cyclohexanecarbonylamino)octanoic acid?
The InChIKey is MXKBEZRVLVFBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(18)11-7-2-1-3-8-12-16-15(19)13-9-5-4-6-10-13/h13H,1-12H2,(H,16,19)(H,17,18).
What are the key properties of 8-(cyclohexanecarbonylamino)octanoic acid?
8-(cyclohexanecarbonylamino)octanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexanecarbonylamino)octanoic acid is sourced from PubChem (CID 10149309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).