methyl (2S)-2-prop-2-enoyloxypropanoate

C7H10O4 — CID 10964778

IUPACmethyl (2S)-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)O[C@@H](C)C(=O)OC
InChIInChI=1S/C7H10O4/c1-4-6(8)11-5(2)7(9)10-3/h4-5H,1H2,2-3H3/t5-/m0/s1
InChIKeyCPZUGEVUVTWMRE-YFKPBYRVSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds3

About methyl (2S)-2-prop-2-enoyloxypropanoate

methyl (2S)-2-prop-2-enoyloxypropanoate (PubChem CID 10964778) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is methyl (2S)-2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-prop-2-enoyloxypropanoate
PubChem CID10964778
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namemethyl (2S)-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)O[C@@H](C)C(=O)OC
InChIInChI=1S/C7H10O4/c1-4-6(8)11-5(2)7(9)10-3/h4-5H,1H2,2-3H3/t5-/m0/s1
InChIKeyCPZUGEVUVTWMRE-YFKPBYRVSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2S)-2-prop-2-enoyloxypropanoate 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 methyl (2S)-2-prop-2-enoyloxypropanoate?
The IUPAC name of methyl (2S)-2-prop-2-enoyloxypropanoate (CID 10964778) is methyl (2S)-2-prop-2-enoyloxypropanoate.
What is the SMILES notation for methyl (2S)-2-prop-2-enoyloxypropanoate?
The canonical SMILES for methyl (2S)-2-prop-2-enoyloxypropanoate is C=CC(=O)O[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-prop-2-enoyloxypropanoate?
The InChIKey is CPZUGEVUVTWMRE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-6(8)11-5(2)7(9)10-3/h4-5H,1H2,2-3H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-prop-2-enoyloxypropanoate?
methyl (2S)-2-prop-2-enoyloxypropanoate has a molecular weight of 158.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 10964778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).