(3S)-5-hydroxy-3-(methylamino)pentan-2-one

C6H13NO2 — CID 59960243

IUPAC(3S)-5-hydroxy-3-(methylamino)pentan-2-one
SMILESCN[C@@H](CCO)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(9)6(7-2)3-4-8/h6-8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySMRQEJYJHGKYOY-LURJTMIESA-N
MW131.18 g/mol
LogP-0.45
Rot. Bonds4

About (3S)-5-hydroxy-3-(methylamino)pentan-2-one

(3S)-5-hydroxy-3-(methylamino)pentan-2-one (PubChem CID 59960243) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S)-5-hydroxy-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(3S)-5-hydroxy-3-(methylamino)pentan-2-one
PubChem CID59960243
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S)-5-hydroxy-3-(methylamino)pentan-2-one
SMILESCN[C@@H](CCO)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(9)6(7-2)3-4-8/h6-8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySMRQEJYJHGKYOY-LURJTMIESA-N
XLogP-0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
CID 167006096
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
CID 145050521
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
6-hydroxy-3-(methylamino)hept-6-en-2-one
CID 58339043
methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium
CID 159074240
3-(methylamino)nonan-2-one
CID 21024660
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
[2-(methylamino)-3-oxobutyl]azanide
CID 54347753

Frequently Asked Questions

What is the IUPAC name of (3S)-5-hydroxy-3-(methylamino)pentan-2-one?
The IUPAC name of (3S)-5-hydroxy-3-(methylamino)pentan-2-one (CID 59960243) is (3S)-5-hydroxy-3-(methylamino)pentan-2-one.
What is the SMILES notation for (3S)-5-hydroxy-3-(methylamino)pentan-2-one?
The canonical SMILES for (3S)-5-hydroxy-3-(methylamino)pentan-2-one is CN[C@@H](CCO)C(C)=O.
What is the InChIKey of (3S)-5-hydroxy-3-(methylamino)pentan-2-one?
The InChIKey is SMRQEJYJHGKYOY-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(9)6(7-2)3-4-8/h6-8H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-5-hydroxy-3-(methylamino)pentan-2-one?
(3S)-5-hydroxy-3-(methylamino)pentan-2-one has a molecular weight of 131.18 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-hydroxy-3-(methylamino)pentan-2-one is sourced from PubChem (CID 59960243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).