(2S)-2-azido-2-methylbutanoyl chloride

C5H8ClN3O — CID 130927067

IUPAC(2S)-2-azido-2-methylbutanoyl chloride
SMILESCC[C@](C)(N=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C5H8ClN3O/c1-3-5(2,4(6)10)8-9-7/h3H2,1-2H3/t5-/m0/s1
InChIKeyNEYAIDFSPYEPHQ-YFKPBYRVSA-N
MW161.59 g/mol
LogP2.23
Rot. Bonds3

About (2S)-2-azido-2-methylbutanoyl chloride

(2S)-2-azido-2-methylbutanoyl chloride (PubChem CID 130927067) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is (2S)-2-azido-2-methylbutanoyl chloride.

Molecular Properties

Compound Name(2S)-2-azido-2-methylbutanoyl chloride
PubChem CID130927067
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name(2S)-2-azido-2-methylbutanoyl chloride
SMILESCC[C@](C)(N=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C5H8ClN3O/c1-3-5(2,4(6)10)8-9-7/h3H2,1-2H3/t5-/m0/s1
InChIKeyNEYAIDFSPYEPHQ-YFKPBYRVSA-N
XLogP2.23
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', '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 (2S)-2-azido-2-methylbutanoyl chloride 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

2,4-diazido-2,4-dimethylpentan-3-one
CID 18791928
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
diethyl 2-azido-2-phenylpropanedioate
CID 14066098
4-azido-2,2,4-trimethylpentanoyl iodide
CID 89181520
2-fluoro-2-methylbutanedioyl dichloride
CID 19349889
3-chloro-3-methylbutanoyl chloride
CID 11344131
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
ethyl 2-azido-3-(furan-2-yl)-2-methyl-3-oxopropanoate
CID 135063947
3-amino-3-methylpentanoyl chloride;hydrochloride
CID 18372009
3-ethoxy-2,2-dimethylpropanoyl chloride
CID 14459646
3-carbonochloridoylpentan-3-ylphosphonic acid
CID 22349208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-2-methylbutanoyl chloride?
The IUPAC name of (2S)-2-azido-2-methylbutanoyl chloride (CID 130927067) is (2S)-2-azido-2-methylbutanoyl chloride.
What is the SMILES notation for (2S)-2-azido-2-methylbutanoyl chloride?
The canonical SMILES for (2S)-2-azido-2-methylbutanoyl chloride is CC[C@](C)(N=[N+]=[N-])C(=O)Cl.
What is the InChIKey of (2S)-2-azido-2-methylbutanoyl chloride?
The InChIKey is NEYAIDFSPYEPHQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8ClN3O/c1-3-5(2,4(6)10)8-9-7/h3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-azido-2-methylbutanoyl chloride?
(2S)-2-azido-2-methylbutanoyl chloride has a molecular weight of 161.59 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-2-methylbutanoyl chloride is sourced from PubChem (CID 130927067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).