11-[acetyl(ethyl)amino]undecanoic acid

C15H29NO3 — CID 19002596

IUPAC11-[acetyl(ethyl)amino]undecanoic acid
SMILESCCN(CCCCCCCCCCC(=O)O)C(C)=O
InChIInChI=1S/C15H29NO3/c1-3-16(14(2)17)13-11-9-7-5-4-6-8-10-12-15(18)19/h3-13H2,1-2H3,(H,18,19)
InChIKeyFDGZGFIRABKGGC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.45
Rot. Bonds12

About 11-[acetyl(ethyl)amino]undecanoic acid

11-[acetyl(ethyl)amino]undecanoic acid (PubChem CID 19002596) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 11-[acetyl(ethyl)amino]undecanoic acid.

Molecular Properties

Compound Name11-[acetyl(ethyl)amino]undecanoic acid
PubChem CID19002596
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name11-[acetyl(ethyl)amino]undecanoic acid
SMILESCCN(CCCCCCCCCCC(=O)O)C(C)=O
InChIInChI=1S/C15H29NO3/c1-3-16(14(2)17)13-11-9-7-5-4-6-8-10-12-15(18)19/h3-13H2,1-2H3,(H,18,19)
InChIKeyFDGZGFIRABKGGC-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 11-[acetyl(ethyl)amino]undecanoic acid?
The IUPAC name of 11-[acetyl(ethyl)amino]undecanoic acid (CID 19002596) is 11-[acetyl(ethyl)amino]undecanoic acid.
What is the SMILES notation for 11-[acetyl(ethyl)amino]undecanoic acid?
The canonical SMILES for 11-[acetyl(ethyl)amino]undecanoic acid is CCN(CCCCCCCCCCC(=O)O)C(C)=O.
What is the InChIKey of 11-[acetyl(ethyl)amino]undecanoic acid?
The InChIKey is FDGZGFIRABKGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-16(14(2)17)13-11-9-7-5-4-6-8-10-12-15(18)19/h3-13H2,1-2H3,(H,18,19).
What are the key properties of 11-[acetyl(ethyl)amino]undecanoic acid?
11-[acetyl(ethyl)amino]undecanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[acetyl(ethyl)amino]undecanoic acid is sourced from PubChem (CID 19002596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).