19-aminooxynonadecanoic acid

C19H39NO3 — CID 145081852

IUPAC19-aminooxynonadecanoic acid
SMILESNOCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO3/c20-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18,20H2,(H,21,22)
InChIKeyWYUQHBJDMLVFNY-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.59
Rot. Bonds19

About 19-aminooxynonadecanoic acid

19-aminooxynonadecanoic acid (PubChem CID 145081852) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 19-aminooxynonadecanoic acid.

Molecular Properties

Compound Name19-aminooxynonadecanoic acid
PubChem CID145081852
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name19-aminooxynonadecanoic acid
SMILESNOCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO3/c20-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18,20H2,(H,21,22)
InChIKeyWYUQHBJDMLVFNY-UHFFFAOYSA-N
XLogP5.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-aminooxypentanoic acid
CID 14989418
4-aminooxybutanoic acid;hydrochloride
CID 71361272
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 19-aminooxynonadecanoic acid?
The IUPAC name of 19-aminooxynonadecanoic acid (CID 145081852) is 19-aminooxynonadecanoic acid.
What is the SMILES notation for 19-aminooxynonadecanoic acid?
The canonical SMILES for 19-aminooxynonadecanoic acid is NOCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 19-aminooxynonadecanoic acid?
The InChIKey is WYUQHBJDMLVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c20-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18,20H2,(H,21,22).
What are the key properties of 19-aminooxynonadecanoic acid?
19-aminooxynonadecanoic acid has a molecular weight of 329.53 g/mol, XLogP of 5.59, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-aminooxynonadecanoic acid is sourced from PubChem (CID 145081852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).