2-(heptyldiazenyl)propanoic acid

C10H20N2O2 — CID 54527680

IUPAC2-(heptyldiazenyl)propanoic acid
SMILESCCCCCCC/N=N/C(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-3-4-5-6-7-8-11-12-9(2)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/b12-11+
InChIKeyYUGJAYAFYOBFNS-VAWYXSNFSA-N
MW200.28 g/mol
LogP2.88
Rot. Bonds8

About 2-(heptyldiazenyl)propanoic acid

2-(heptyldiazenyl)propanoic acid (PubChem CID 54527680) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(heptyldiazenyl)propanoic acid.

Molecular Properties

Compound Name2-(heptyldiazenyl)propanoic acid
PubChem CID54527680
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(heptyldiazenyl)propanoic acid
SMILESCCCCCCC/N=N/C(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-3-4-5-6-7-8-11-12-9(2)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/b12-11+
InChIKeyYUGJAYAFYOBFNS-VAWYXSNFSA-N
XLogP2.88
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(heptyldiazenyl)propanoic 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

ethyl 2-(heptyldiazenyl)propanoate
CID 54013440
2-nonadecan-2-ylpropanedioic acid
CID 22179077
2-tetradecyliminoacetic acid
CID 88692071
heptane;2-methylheptadecanoic acid
CID 175511035
2-(2-prop-2-enylsulfanylethyldiazenyl)propanoic acid
CID 56609593
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
2-icosylpropanedioic acid
CID 11582738
acetic acid;nonane
CID 174272180
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
hexacosan-1-ol;2-hydroxypropanoic acid
CID 175494686

Frequently Asked Questions

What is the IUPAC name of 2-(heptyldiazenyl)propanoic acid?
The IUPAC name of 2-(heptyldiazenyl)propanoic acid (CID 54527680) is 2-(heptyldiazenyl)propanoic acid.
What is the SMILES notation for 2-(heptyldiazenyl)propanoic acid?
The canonical SMILES for 2-(heptyldiazenyl)propanoic acid is CCCCCCC/N=N/C(C)C(=O)O.
What is the InChIKey of 2-(heptyldiazenyl)propanoic acid?
The InChIKey is YUGJAYAFYOBFNS-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-5-6-7-8-11-12-9(2)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/b12-11+.
What are the key properties of 2-(heptyldiazenyl)propanoic acid?
2-(heptyldiazenyl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptyldiazenyl)propanoic acid is sourced from PubChem (CID 54527680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).