ethyl 2-hydroxy-4-oxobutanoate

C6H10O4 — CID 78382664

IUPACethyl 2-hydroxy-4-oxobutanoate
SMILESCCOC(=O)C(O)CC=O
InChIInChI=1S/C6H10O4/c1-2-10-6(9)5(8)3-4-7/h4-5,8H,2-3H2,1H3
InChIKeyPFOGDPPCAZBSPD-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.50
Rot. Bonds4

About ethyl 2-hydroxy-4-oxobutanoate

ethyl 2-hydroxy-4-oxobutanoate (PubChem CID 78382664) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-oxobutanoate
PubChem CID78382664
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Nameethyl 2-hydroxy-4-oxobutanoate
SMILESCCOC(=O)C(O)CC=O
InChIInChI=1S/C6H10O4/c1-2-10-6(9)5(8)3-4-7/h4-5,8H,2-3H2,1H3
InChIKeyPFOGDPPCAZBSPD-UHFFFAOYSA-N
XLogP-0.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl 2-hydroxybutanoate
CID 521365
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl 4-amino-4-oxo-2-(2-oxoethyl)butanoate
CID 141031840
ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate
CID 11448351
CID 118856772
CID 118856772
diethyl 2-hydroxybutanedioate;diethyl propanedioate
CID 174923020
ethyl 2-hydroxyheptanoate
CID 12743783
diethyl 2-hydroxybutanedioate;oxalic acid
CID 162333758
diethyl 2-butanoylpropanedioate
CID 13467795
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-oxobutanoate?
The IUPAC name of ethyl 2-hydroxy-4-oxobutanoate (CID 78382664) is ethyl 2-hydroxy-4-oxobutanoate.
What is the SMILES notation for ethyl 2-hydroxy-4-oxobutanoate?
The canonical SMILES for ethyl 2-hydroxy-4-oxobutanoate is CCOC(=O)C(O)CC=O.
What is the InChIKey of ethyl 2-hydroxy-4-oxobutanoate?
The InChIKey is PFOGDPPCAZBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-10-6(9)5(8)3-4-7/h4-5,8H,2-3H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-oxobutanoate?
ethyl 2-hydroxy-4-oxobutanoate has a molecular weight of 146.14 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-oxobutanoate is sourced from PubChem (CID 78382664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).