(3S)-4-hydroxy-3-(methylamino)pentan-2-one

C6H13NO2 — CID 59960230

IUPAC(3S)-4-hydroxy-3-(methylamino)pentan-2-one
SMILESCN[C@H](C(C)=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3/t4?,6-/m0/s1
InChIKeyAFYZBEBQNWNXRY-RZKHNPSRSA-N
MW131.17 g/mol
LogP-0.46
Rot. Bonds3

About (3S)-4-hydroxy-3-(methylamino)pentan-2-one

(3S)-4-hydroxy-3-(methylamino)pentan-2-one (PubChem CID 59960230) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3S)-4-hydroxy-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(3S)-4-hydroxy-3-(methylamino)pentan-2-one
PubChem CID59960230
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3S)-4-hydroxy-3-(methylamino)pentan-2-one
SMILESCN[C@H](C(C)=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3/t4?,6-/m0/s1
InChIKeyAFYZBEBQNWNXRY-RZKHNPSRSA-N
XLogP-0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-hydroxy-3-(methylamino)pentan-2-one?
The IUPAC name of (3S)-4-hydroxy-3-(methylamino)pentan-2-one (CID 59960230) is (3S)-4-hydroxy-3-(methylamino)pentan-2-one.
What is the SMILES notation for (3S)-4-hydroxy-3-(methylamino)pentan-2-one?
The canonical SMILES for (3S)-4-hydroxy-3-(methylamino)pentan-2-one is CN[C@H](C(C)=O)C(C)O.
What is the InChIKey of (3S)-4-hydroxy-3-(methylamino)pentan-2-one?
The InChIKey is AFYZBEBQNWNXRY-RZKHNPSRSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3/t4?,6-/m0/s1.
What are the key properties of (3S)-4-hydroxy-3-(methylamino)pentan-2-one?
(3S)-4-hydroxy-3-(methylamino)pentan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-hydroxy-3-(methylamino)pentan-2-one is sourced from PubChem (CID 59960230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).