(2R)-2-acetyl-2-hydroxypent-4-enoic acid

C7H10O4 — CID 172853927

IUPAC(2R)-2-acetyl-2-hydroxypent-4-enoic acid
SMILESC=CC[C@@](O)(C(C)=O)C(=O)O
InChIInChI=1S/C7H10O4/c1-3-4-7(11,5(2)8)6(9)10/h3,11H,1,4H2,2H3,(H,9,10)/t7-/m1/s1
InChIKeyYLBZCNMURLGUTR-SSDOTTSWSA-N
MW158.15 g/mol
LogP-0.03
Rot. Bonds4

About (2R)-2-acetyl-2-hydroxypent-4-enoic acid

(2R)-2-acetyl-2-hydroxypent-4-enoic acid (PubChem CID 172853927) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2R)-2-acetyl-2-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-acetyl-2-hydroxypent-4-enoic acid
PubChem CID172853927
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2R)-2-acetyl-2-hydroxypent-4-enoic acid
SMILESC=CC[C@@](O)(C(C)=O)C(=O)O
InChIInChI=1S/C7H10O4/c1-3-4-7(11,5(2)8)6(9)10/h3,11H,1,4H2,2H3,(H,9,10)/t7-/m1/s1
InChIKeyYLBZCNMURLGUTR-SSDOTTSWSA-N
XLogP-0.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-acetyl-2-hydroxypent-4-enoic acid 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 (2R)-2-acetyl-2-hydroxypent-4-enoic acid?
The IUPAC name of (2R)-2-acetyl-2-hydroxypent-4-enoic acid (CID 172853927) is (2R)-2-acetyl-2-hydroxypent-4-enoic acid.
What is the SMILES notation for (2R)-2-acetyl-2-hydroxypent-4-enoic acid?
The canonical SMILES for (2R)-2-acetyl-2-hydroxypent-4-enoic acid is C=CC[C@@](O)(C(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetyl-2-hydroxypent-4-enoic acid?
The InChIKey is YLBZCNMURLGUTR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-4-7(11,5(2)8)6(9)10/h3,11H,1,4H2,2H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-acetyl-2-hydroxypent-4-enoic acid?
(2R)-2-acetyl-2-hydroxypent-4-enoic acid has a molecular weight of 158.15 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyl-2-hydroxypent-4-enoic acid is sourced from PubChem (CID 172853927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).