3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid

C7H10O5 — CID 23187393

IUPAC3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC(CO)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(2)7(11)12-5(3-8)6(9)10/h5,8H,1,3H2,2H3,(H,9,10)
InChIKeyIPFCVTSOAXVFDG-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.45
Rot. Bonds4

About 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid

3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid (PubChem CID 23187393) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid
PubChem CID23187393
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC(CO)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(2)7(11)12-5(3-8)6(9)10/h5,8H,1,3H2,2H3,(H,9,10)
InChIKeyIPFCVTSOAXVFDG-UHFFFAOYSA-N
XLogP-0.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid?
The IUPAC name of 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid (CID 23187393) is 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid is C=C(C)C(=O)OC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid?
The InChIKey is IPFCVTSOAXVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-4(2)7(11)12-5(3-8)6(9)10/h5,8H,1,3H2,2H3,(H,9,10).
What are the key properties of 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid?
3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid has a molecular weight of 174.15 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylprop-2-enoyloxy)propanoic acid is sourced from PubChem (CID 23187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).