(2S,3S)-2-azido-3-methylpentanoyl chloride

C6H10ClN3O — CID 15953720

IUPAC(2S,3S)-2-azido-3-methylpentanoyl chloride
SMILESCC[C@H](C)[C@H](N=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C6H10ClN3O/c1-3-4(2)5(6(7)11)9-10-8/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyPZBGLYNCBRBCJA-WHFBIAKZSA-N
MW175.62 g/mol
LogP2.48
Rot. Bonds4

About (2S,3S)-2-azido-3-methylpentanoyl chloride

(2S,3S)-2-azido-3-methylpentanoyl chloride (PubChem CID 15953720) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is (2S,3S)-2-azido-3-methylpentanoyl chloride.

Molecular Properties

Compound Name(2S,3S)-2-azido-3-methylpentanoyl chloride
PubChem CID15953720
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name(2S,3S)-2-azido-3-methylpentanoyl chloride
SMILESCC[C@H](C)[C@H](N=[N+]=[N-])C(=O)Cl
InChIInChI=1S/C6H10ClN3O/c1-3-4(2)5(6(7)11)9-10-8/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyPZBGLYNCBRBCJA-WHFBIAKZSA-N
XLogP2.48
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 52.48
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-azido-3-methylpentanoyl chloride?
The IUPAC name of (2S,3S)-2-azido-3-methylpentanoyl chloride (CID 15953720) is (2S,3S)-2-azido-3-methylpentanoyl chloride.
What is the SMILES notation for (2S,3S)-2-azido-3-methylpentanoyl chloride?
The canonical SMILES for (2S,3S)-2-azido-3-methylpentanoyl chloride is CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)Cl.
What is the InChIKey of (2S,3S)-2-azido-3-methylpentanoyl chloride?
The InChIKey is PZBGLYNCBRBCJA-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-3-4(2)5(6(7)11)9-10-8/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-azido-3-methylpentanoyl chloride?
(2S,3S)-2-azido-3-methylpentanoyl chloride has a molecular weight of 175.62 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-azido-3-methylpentanoyl chloride is sourced from PubChem (CID 15953720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).