prop-2-enoyl 2,3-dihydroxypropanoate

C6H8O5 — CID 87068112

IUPACprop-2-enoyl 2,3-dihydroxypropanoate
SMILESC=CC(=O)OC(=O)C(O)CO
InChIInChI=1S/C6H8O5/c1-2-5(9)11-6(10)4(8)3-7/h2,4,7-8H,1,3H2
InChIKeyIPWKUDWXHJPIMV-UHFFFAOYSA-N
MW160.12 g/mol
LogP-1.40
Rot. Bonds3

About prop-2-enoyl 2,3-dihydroxypropanoate

prop-2-enoyl 2,3-dihydroxypropanoate (PubChem CID 87068112) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is prop-2-enoyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2,3-dihydroxypropanoate
PubChem CID87068112
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Nameprop-2-enoyl 2,3-dihydroxypropanoate
SMILESC=CC(=O)OC(=O)C(O)CO
InChIInChI=1S/C6H8O5/c1-2-5(9)11-6(10)4(8)3-7/h2,4,7-8H,1,3H2
InChIKeyIPWKUDWXHJPIMV-UHFFFAOYSA-N
XLogP-1.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.40
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'}

Analyze prop-2-enoyl 2,3-dihydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2,3-dihydroxypropanoate?
The IUPAC name of prop-2-enoyl 2,3-dihydroxypropanoate (CID 87068112) is prop-2-enoyl 2,3-dihydroxypropanoate.
What is the SMILES notation for prop-2-enoyl 2,3-dihydroxypropanoate?
The canonical SMILES for prop-2-enoyl 2,3-dihydroxypropanoate is C=CC(=O)OC(=O)C(O)CO.
What is the InChIKey of prop-2-enoyl 2,3-dihydroxypropanoate?
The InChIKey is IPWKUDWXHJPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-5(9)11-6(10)4(8)3-7/h2,4,7-8H,1,3H2.
What are the key properties of prop-2-enoyl 2,3-dihydroxypropanoate?
prop-2-enoyl 2,3-dihydroxypropanoate has a molecular weight of 160.12 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 87068112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).