(2S)-1-azido-4-methylpentan-2-ol

C6H13N3O — CID 99983319

IUPAC(2S)-1-azido-4-methylpentan-2-ol
SMILESCC(C)C[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-5(2)3-6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyMMNCDXDUXCHRGI-LURJTMIESA-N
MW143.19 g/mol
LogP1.70
Rot. Bonds4

About (2S)-1-azido-4-methylpentan-2-ol

(2S)-1-azido-4-methylpentan-2-ol (PubChem CID 99983319) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-1-azido-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-azido-4-methylpentan-2-ol
PubChem CID99983319
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S)-1-azido-4-methylpentan-2-ol
SMILESCC(C)C[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-5(2)3-6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyMMNCDXDUXCHRGI-LURJTMIESA-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

5-azidopentane-1,2,4-triol
CID 90777098
1-amino-3-azidopropan-2-ol
CID 150484023
(3R)-4-azidobutane-1,3-diol
CID 130698557
1-azidohexan-2-ol
CID 11171039
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
(1-azido-4-methylpentan-2-yl)carbamic acid
CID 174780180
1-azido-3-methylpentan-2-ol
CID 116691796
1-azido-2-chloropropane
CID 141342306
1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
CID 161343566
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
ethyl 4-azido-3-hydroxybutanoate
CID 14685344

Frequently Asked Questions

What is the IUPAC name of (2S)-1-azido-4-methylpentan-2-ol?
The IUPAC name of (2S)-1-azido-4-methylpentan-2-ol (CID 99983319) is (2S)-1-azido-4-methylpentan-2-ol.
What is the SMILES notation for (2S)-1-azido-4-methylpentan-2-ol?
The canonical SMILES for (2S)-1-azido-4-methylpentan-2-ol is CC(C)C[C@H](O)CN=[N+]=[N-].
What is the InChIKey of (2S)-1-azido-4-methylpentan-2-ol?
The InChIKey is MMNCDXDUXCHRGI-LURJTMIESA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(2)3-6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-azido-4-methylpentan-2-ol?
(2S)-1-azido-4-methylpentan-2-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)-1-azido-4-methylpentan-2-ol is sourced from PubChem (CID 99983319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).