(2S,3S)-2-azido-3-methylpentan-1-ol

C6H13N3O — CID 130656400

IUPAC(2S,3S)-2-azido-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(2)6(4-10)8-9-7/h5-6,10H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyPRAYPZJGCOTWFG-NTSWFWBYSA-N
MW143.19 g/mol
LogP1.70
Rot. Bonds4

About (2S,3S)-2-azido-3-methylpentan-1-ol

(2S,3S)-2-azido-3-methylpentan-1-ol (PubChem CID 130656400) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S,3S)-2-azido-3-methylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-azido-3-methylpentan-1-ol
PubChem CID130656400
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S,3S)-2-azido-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(2)6(4-10)8-9-7/h5-6,10H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyPRAYPZJGCOTWFG-NTSWFWBYSA-N
XLogP1.70
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.70
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'}

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Related Compounds

(4R)-3-azido-4-methylhexane
CID 54477838
2-azido-3-ethylpentan-1-ol
CID 152756616
(3S)-2-[(2S)-2-azido-1,3-dihydroxypropoxy]butane-1,3-diol
CID 90352756
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
2-azido-3-bromobutane-1,4-diol
CID 72663930
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-azido-3-methylpentan-1-ol?
The IUPAC name of (2S,3S)-2-azido-3-methylpentan-1-ol (CID 130656400) is (2S,3S)-2-azido-3-methylpentan-1-ol.
What is the SMILES notation for (2S,3S)-2-azido-3-methylpentan-1-ol?
The canonical SMILES for (2S,3S)-2-azido-3-methylpentan-1-ol is CC[C@H](C)[C@@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S,3S)-2-azido-3-methylpentan-1-ol?
The InChIKey is PRAYPZJGCOTWFG-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-5(2)6(4-10)8-9-7/h5-6,10H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2S,3S)-2-azido-3-methylpentan-1-ol?
(2S,3S)-2-azido-3-methylpentan-1-ol has a molecular weight of 143.19 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-azido-3-methylpentan-1-ol is sourced from PubChem (CID 130656400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).