(3S)-3-amino-2-chloro-4-methylpentan-2-ol

C6H14ClNO — CID 58522331

IUPAC(3S)-3-amino-2-chloro-4-methylpentan-2-ol
SMILESCC(C)[C@H](N)C(C)(O)Cl
InChIInChI=1S/C6H14ClNO/c1-4(2)5(8)6(3,7)9/h4-5,9H,8H2,1-3H3/t5-,6?/m0/s1
InChIKeyGFPJSJNMEBRRJT-ZBHICJROSA-N
MW151.64 g/mol
LogP0.92
Rot. Bonds2

About (3S)-3-amino-2-chloro-4-methylpentan-2-ol

(3S)-3-amino-2-chloro-4-methylpentan-2-ol (PubChem CID 58522331) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3S)-3-amino-2-chloro-4-methylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-2-chloro-4-methylpentan-2-ol
PubChem CID58522331
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3S)-3-amino-2-chloro-4-methylpentan-2-ol
SMILESCC(C)[C@H](N)C(C)(O)Cl
InChIInChI=1S/C6H14ClNO/c1-4(2)5(8)6(3,7)9/h4-5,9H,8H2,1-3H3/t5-,6?/m0/s1
InChIKeyGFPJSJNMEBRRJT-ZBHICJROSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-chloro-4-methylpentan-2-ol?
The IUPAC name of (3S)-3-amino-2-chloro-4-methylpentan-2-ol (CID 58522331) is (3S)-3-amino-2-chloro-4-methylpentan-2-ol.
What is the SMILES notation for (3S)-3-amino-2-chloro-4-methylpentan-2-ol?
The canonical SMILES for (3S)-3-amino-2-chloro-4-methylpentan-2-ol is CC(C)[C@H](N)C(C)(O)Cl.
What is the InChIKey of (3S)-3-amino-2-chloro-4-methylpentan-2-ol?
The InChIKey is GFPJSJNMEBRRJT-ZBHICJROSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-4(2)5(8)6(3,7)9/h4-5,9H,8H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of (3S)-3-amino-2-chloro-4-methylpentan-2-ol?
(3S)-3-amino-2-chloro-4-methylpentan-2-ol has a molecular weight of 151.64 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-chloro-4-methylpentan-2-ol is sourced from PubChem (CID 58522331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).