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

C6H13NO2 — CID 89291505

IUPAC3-hydroxy-5-(methylamino)pentan-2-one
SMILESCNCCC(O)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(8)6(9)3-4-7-2/h6-7,9H,3-4H2,1-2H3
InChIKeyLPWBBIUTOMMSDE-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.45
Rot. Bonds4

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

3-hydroxy-5-(methylamino)pentan-2-one (PubChem CID 89291505) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-hydroxy-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(methylamino)pentan-2-one
PubChem CID89291505
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-hydroxy-5-(methylamino)pentan-2-one
SMILESCNCCC(O)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(8)6(9)3-4-7-2/h6-7,9H,3-4H2,1-2H3
InChIKeyLPWBBIUTOMMSDE-UHFFFAOYSA-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 ≤ 500131.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(methylamino)pentan-2-one?
The IUPAC name of 3-hydroxy-5-(methylamino)pentan-2-one (CID 89291505) is 3-hydroxy-5-(methylamino)pentan-2-one.
What is the SMILES notation for 3-hydroxy-5-(methylamino)pentan-2-one?
The canonical SMILES for 3-hydroxy-5-(methylamino)pentan-2-one is CNCCC(O)C(C)=O.
What is the InChIKey of 3-hydroxy-5-(methylamino)pentan-2-one?
The InChIKey is LPWBBIUTOMMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(8)6(9)3-4-7-2/h6-7,9H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-5-(methylamino)pentan-2-one?
3-hydroxy-5-(methylamino)pentan-2-one has a molecular weight of 131.17 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 3-hydroxy-5-(methylamino)pentan-2-one is sourced from PubChem (CID 89291505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).