6-(nonanoylamino)hexanoic acid

C15H29NO3 — CID 11022006

IUPAC6-(nonanoylamino)hexanoic acid
SMILESCCCCCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-8-11-14(17)16-13-10-7-9-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeySBLCUTIOHNPTHL-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.50
Rot. Bonds13

About 6-(nonanoylamino)hexanoic acid

6-(nonanoylamino)hexanoic acid (PubChem CID 11022006) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 6-(nonanoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(nonanoylamino)hexanoic acid
PubChem CID11022006
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name6-(nonanoylamino)hexanoic acid
SMILESCCCCCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-8-11-14(17)16-13-10-7-9-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeySBLCUTIOHNPTHL-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.50
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 6-(nonanoylamino)hexanoic acid?
The IUPAC name of 6-(nonanoylamino)hexanoic acid (CID 11022006) is 6-(nonanoylamino)hexanoic acid.
What is the SMILES notation for 6-(nonanoylamino)hexanoic acid?
The canonical SMILES for 6-(nonanoylamino)hexanoic acid is CCCCCCCCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(nonanoylamino)hexanoic acid?
The InChIKey is SBLCUTIOHNPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-8-11-14(17)16-13-10-7-9-12-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(nonanoylamino)hexanoic acid?
6-(nonanoylamino)hexanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(nonanoylamino)hexanoic acid is sourced from PubChem (CID 11022006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).