2-azidopropanoic acid

C3H5N3O2 — CID 14720889

IUPAC2-azidopropanoic acid
SMILESCC(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C3H5N3O2/c1-2(3(7)8)5-6-4/h2H,1H3,(H,7,8)
InChIKeyXVNBLPHVIQXLMS-UHFFFAOYSA-N
MW115.09 g/mol
LogP0.77
Rot. Bonds2

About 2-azidopropanoic acid

2-azidopropanoic acid (PubChem CID 14720889) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2-azidopropanoic acid.

Molecular Properties

Compound Name2-azidopropanoic acid
PubChem CID14720889
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name2-azidopropanoic acid
SMILESCC(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C3H5N3O2/c1-2(3(7)8)5-6-4/h2H,1H3,(H,7,8)
InChIKeyXVNBLPHVIQXLMS-UHFFFAOYSA-N
XLogP0.77
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azidopropanoic 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

2-azido-4-methylpentan-3-one
CID 150180887
2-azido-N-methylpropanamide
CID 20591221
(2S)-2-amino-3-azidobutanoic acid
CID 140958168
ethyl (2S)-2-azidopropanoate
CID 15266179
3-azido-2-ethylbutanoic acid
CID 151456809
2-azido-N-propylpropanamide
CID 61373269
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
(2R,3S)-2-azido-3-hydroxyhexanoic acid
CID 101025142
2-azido-6-(5-azido-4-oxohexoxy)hexan-3-one
CID 148848612
2-azido-3,4-dihydroxybutanoic acid
CID 122531609
2-azido-3-hydroxypropanoic acid
CID 54415353
2-azido-1-(4-methylphenyl)propan-1-one
CID 11458162

Frequently Asked Questions

What is the IUPAC name of 2-azidopropanoic acid?
The IUPAC name of 2-azidopropanoic acid (CID 14720889) is 2-azidopropanoic acid.
What is the SMILES notation for 2-azidopropanoic acid?
The canonical SMILES for 2-azidopropanoic acid is CC(N=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-azidopropanoic acid?
The InChIKey is XVNBLPHVIQXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c1-2(3(7)8)5-6-4/h2H,1H3,(H,7,8).
What are the key properties of 2-azidopropanoic acid?
2-azidopropanoic acid has a molecular weight of 115.09 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropanoic acid is sourced from PubChem (CID 14720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).