2-hydroxy-4-oxopentanamide

C5H9NO3 — CID 54002232

IUPAC2-hydroxy-4-oxopentanamide
SMILESCC(=O)CC(O)C(N)=O
InChIInChI=1S/C5H9NO3/c1-3(7)2-4(8)5(6)9/h4,8H,2H2,1H3,(H2,6,9)
InChIKeyKMKGOMILZMTGEF-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.19
Rot. Bonds3

About 2-hydroxy-4-oxopentanamide

2-hydroxy-4-oxopentanamide (PubChem CID 54002232) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-hydroxy-4-oxopentanamide.

Molecular Properties

Compound Name2-hydroxy-4-oxopentanamide
PubChem CID54002232
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-hydroxy-4-oxopentanamide
SMILESCC(=O)CC(O)C(N)=O
InChIInChI=1S/C5H9NO3/c1-3(7)2-4(8)5(6)9/h4,8H,2H2,1H3,(H2,6,9)
InChIKeyKMKGOMILZMTGEF-UHFFFAOYSA-N
XLogP-1.19
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-hydroxy-4-oxopentanoate
CID 122681724
potassium 4-amino-3-hydroxy-4-oxobutanoate
CID 75480412
2-hydroxybutanamide;hydrochloride
CID 87384831
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
N'-butyl-2-hydroxybutanediamide
CID 88532748
2-[2-(2-hydroxy-4-oxopentanoyl)oxyethyl]-3-oxobutanoic acid
CID 91472581
3-(dimethylamino)-2-hydroxypropanamide;hydrochloride
CID 89312207
7-hydroxy-5,5-bis(3-oxobutanoyl)decane-2,4,6,9-tetrone
CID 57313895
4-amino-2-hydroxyhexanamide
CID 87857755
[(E,4S)-4-hydroxy-3-methyl-6-oxohept-2-enyl] methanesulfinate
CID 101053844
2-hydroxypentanediamide
CID 559184

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxopentanamide?
The IUPAC name of 2-hydroxy-4-oxopentanamide (CID 54002232) is 2-hydroxy-4-oxopentanamide.
What is the SMILES notation for 2-hydroxy-4-oxopentanamide?
The canonical SMILES for 2-hydroxy-4-oxopentanamide is CC(=O)CC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-4-oxopentanamide?
The InChIKey is KMKGOMILZMTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(7)2-4(8)5(6)9/h4,8H,2H2,1H3,(H2,6,9).
What are the key properties of 2-hydroxy-4-oxopentanamide?
2-hydroxy-4-oxopentanamide has a molecular weight of 131.13 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxopentanamide is sourced from PubChem (CID 54002232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).