34-amino-34-oxotetratriacontanoic acid

C34H67NO3 — CID 139682719

IUPAC34-amino-34-oxotetratriacontanoic acid
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H67NO3/c35-33(36)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(37)38/h1-32H2,(H2,35,36)(H,37,38)
InChIKeyXQYGITKXKCXSAX-UHFFFAOYSA-N
MW537.91 g/mol
LogP11.04
Rot. Bonds33

About 34-amino-34-oxotetratriacontanoic acid

34-amino-34-oxotetratriacontanoic acid (PubChem CID 139682719) has the molecular formula C34H67NO3 and a molecular weight of 537.91 g/mol. Its IUPAC name is 34-amino-34-oxotetratriacontanoic acid.

Molecular Properties

Compound Name34-amino-34-oxotetratriacontanoic acid
PubChem CID139682719
Molecular FormulaC34H67NO3
Molecular Weight537.91 g/mol
Exact Mass537.51
IUPAC Name34-amino-34-oxotetratriacontanoic acid
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H67NO3/c35-33(36)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(37)38/h1-32H2,(H2,35,36)(H,37,38)
InChIKeyXQYGITKXKCXSAX-UHFFFAOYSA-N
XLogP11.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 511.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 34-amino-34-oxotetratriacontanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

24-amino-24-oxotetracosanoic acid
CID 139682769
10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
nonatetracontanediamide
CID 162734608
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
docosanediamide;hexacosanediamide
CID 129179979
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
dodecanediamide;nonanediamide
CID 175017820
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of 34-amino-34-oxotetratriacontanoic acid?
The IUPAC name of 34-amino-34-oxotetratriacontanoic acid (CID 139682719) is 34-amino-34-oxotetratriacontanoic acid.
What is the SMILES notation for 34-amino-34-oxotetratriacontanoic acid?
The canonical SMILES for 34-amino-34-oxotetratriacontanoic acid is NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 34-amino-34-oxotetratriacontanoic acid?
The InChIKey is XQYGITKXKCXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO3/c35-33(36)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(37)38/h1-32H2,(H2,35,36)(H,37,38).
What are the key properties of 34-amino-34-oxotetratriacontanoic acid?
34-amino-34-oxotetratriacontanoic acid has a molecular weight of 537.91 g/mol, XLogP of 11.04, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 34-amino-34-oxotetratriacontanoic acid is sourced from PubChem (CID 139682719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).