2,3-dihydroxypropanoyl 2-methylprop-2-enoate

C7H10O5 — CID 18615280

IUPAC2,3-dihydroxypropanoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C7H10O5/c1-4(2)6(10)12-7(11)5(9)3-8/h5,8-9H,1,3H2,2H3
InChIKeyQJDJXIVQTYXASB-UHFFFAOYSA-N
MW174.15 g/mol
LogP-1.01
Rot. Bonds3

About 2,3-dihydroxypropanoyl 2-methylprop-2-enoate

2,3-dihydroxypropanoyl 2-methylprop-2-enoate (PubChem CID 18615280) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl 2-methylprop-2-enoate
PubChem CID18615280
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2,3-dihydroxypropanoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C7H10O5/c1-4(2)6(10)12-7(11)5(9)3-8/h5,8-9H,1,3H2,2H3
InChIKeyQJDJXIVQTYXASB-UHFFFAOYSA-N
XLogP-1.01
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate (CID 18615280) is 2,3-dihydroxypropanoyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate?
The InChIKey is QJDJXIVQTYXASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-4(2)6(10)12-7(11)5(9)3-8/h5,8-9H,1,3H2,2H3.
What are the key properties of 2,3-dihydroxypropanoyl 2-methylprop-2-enoate?
2,3-dihydroxypropanoyl 2-methylprop-2-enoate has a molecular weight of 174.15 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl 2-methylprop-2-enoate is sourced from PubChem (CID 18615280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).