2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid

C14H18O5 — CID 113360489

IUPAC2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid
SMILESCCOC(=O)C(CC(C)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-3-19-13(18)14(12(16)17,9-10(2)15)11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyQDXDFLLCYQHSFR-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.34
Rot. Bonds6

About 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid

2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid (PubChem CID 113360489) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid
PubChem CID113360489
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid
SMILESCCOC(=O)C(CC(C)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-3-19-13(18)14(12(16)17,9-10(2)15)11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyQDXDFLLCYQHSFR-UHFFFAOYSA-N
XLogP1.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
2-(4-chlorophenyl)-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974743
2-ethoxycarbonyl-2-(4-fluorophenyl)-4-methylpentanoic acid
CID 103974807
2-ethoxycarbonyl-4,5-dihydroxy-2-(3-methylphenyl)pentanoic acid
CID 103974849
2-ethoxycarbonyl-2-phenylhex-5-ynoic acid
CID 103974572
2-ethoxycarbonyl-2-(4-fluorophenyl)-4,5-dihydroxypentanoic acid
CID 103974815
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
sodium 2-ethoxycarbonyl-2-phenylbutanoate
CID 19003499
2-(3-bromophenyl)-2-ethoxycarbonyl-4,4-difluorobutanoic acid
CID 103975040
bis(2-methylpropyl) 2-(2-methylpropyl)-2-phenylpropanedioate
CID 118088533
bis(2-methylpropyl) 2-ethyl-2-phenylpropanedioate
CID 118088367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid?
The IUPAC name of 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid (CID 113360489) is 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid.
What is the SMILES notation for 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid?
The canonical SMILES for 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid is CCOC(=O)C(CC(C)O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid?
The InChIKey is QDXDFLLCYQHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-19-13(18)14(12(16)17,9-10(2)15)11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid?
2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid is sourced from PubChem (CID 113360489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).