(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid

C10H14O5 — CID 97052188

IUPAC(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
SMILESC=C(C)C(=O)O[C@](CC)(C(C)=O)C(=O)O
InChIInChI=1S/C10H14O5/c1-5-10(7(4)11,9(13)14)15-8(12)6(2)3/h2,5H2,1,3-4H3,(H,13,14)/t10-/m1/s1
InChIKeyDRSGERPSZLWPHE-SNVBAGLBSA-N
MW214.22 g/mol
LogP0.93
Rot. Bonds5

About (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid

(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid (PubChem CID 97052188) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
PubChem CID97052188
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
SMILESC=C(C)C(=O)O[C@](CC)(C(C)=O)C(=O)O
InChIInChI=1S/C10H14O5/c1-5-10(7(4)11,9(13)14)15-8(12)6(2)3/h2,5H2,1,3-4H3,(H,13,14)/t10-/m1/s1
InChIKeyDRSGERPSZLWPHE-SNVBAGLBSA-N
XLogP0.93
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
alumane;2-ethyl-2-(2-methylpropoxy)-3-oxobutanoic acid
CID 175257771
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
CID 87307438
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid?
The IUPAC name of (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid (CID 97052188) is (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid.
What is the SMILES notation for (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid?
The canonical SMILES for (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid is C=C(C)C(=O)O[C@](CC)(C(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid?
The InChIKey is DRSGERPSZLWPHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-10(7(4)11,9(13)14)15-8(12)6(2)3/h2,5H2,1,3-4H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid?
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid is sourced from PubChem (CID 97052188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).