(2S)-2-diazenylpropanamide

C3H7N3O — CID 88574681

IUPAC(2S)-2-diazenylpropanamide
SMILES[H]/N=N/[C@@H](C)C(N)=O
InChIInChI=1S/C3H7N3O/c1-2(6-5)3(4)7/h2,5H,1H3,(H2,4,7)/b6-5+/t2-/m0/s1
InChIKeyPWULNDYRZGQYNE-BICAIMLSSA-N
MW101.11 g/mol
LogP-0.11
Rot. Bonds2

About (2S)-2-diazenylpropanamide

(2S)-2-diazenylpropanamide (PubChem CID 88574681) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is (2S)-2-diazenylpropanamide.

Molecular Properties

Compound Name(2S)-2-diazenylpropanamide
PubChem CID88574681
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name(2S)-2-diazenylpropanamide
SMILES[H]/N=N/[C@@H](C)C(N)=O
InChIInChI=1S/C3H7N3O/c1-2(6-5)3(4)7/h2,5H,1H3,(H2,4,7)/b6-5+/t2-/m0/s1
InChIKeyPWULNDYRZGQYNE-BICAIMLSSA-N
XLogP-0.11
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-diazenylpropanamide 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-diazenylpropanoic acid
CID 54345644
(3S)-3-diazenylbutan-2-imine
CID 163736167
2-(propan-2-ylideneamino)propanamide
CID 55290813
4-methyl-2-oxo-3-propan-2-ylpentanimidamide
CID 141195959
dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
methyl 3-diazenylbutanoate
CID 123944825
2,3-dimethylbutanediamide
CID 55281411
carbamic acid;ethane-1,1-diol
CID 175516501
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(1-diazenyl-2-methylpropyl)diazene
CID 57086976
(1-amino-1-oxopropan-2-yl) ethanimidothioate
CID 87476191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-diazenylpropanamide?
The IUPAC name of (2S)-2-diazenylpropanamide (CID 88574681) is (2S)-2-diazenylpropanamide.
What is the SMILES notation for (2S)-2-diazenylpropanamide?
The canonical SMILES for (2S)-2-diazenylpropanamide is [H]/N=N/[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-diazenylpropanamide?
The InChIKey is PWULNDYRZGQYNE-BICAIMLSSA-N. The full InChI is InChI=1S/C3H7N3O/c1-2(6-5)3(4)7/h2,5H,1H3,(H2,4,7)/b6-5+/t2-/m0/s1.
What are the key properties of (2S)-2-diazenylpropanamide?
(2S)-2-diazenylpropanamide has a molecular weight of 101.11 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-diazenylpropanamide is sourced from PubChem (CID 88574681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).