4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid

C8H14O6 — CID 103973372

IUPAC4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
SMILESCOCC(O)CC(C(=O)O)C(=O)OC
InChIInChI=1S/C8H14O6/c1-13-4-5(9)3-6(7(10)11)8(12)14-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeySQLHQBRGIAHHRS-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.74
Rot. Bonds6

About 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid

4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid (PubChem CID 103973372) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
PubChem CID103973372
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
SMILESCOCC(O)CC(C(=O)O)C(=O)OC
InChIInChI=1S/C8H14O6/c1-13-4-5(9)3-6(7(10)11)8(12)14-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeySQLHQBRGIAHHRS-UHFFFAOYSA-N
XLogP-0.74
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic 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

1,5-dimethoxypentane-2,4-diol
CID 88937884
5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
CID 103973534
(2S)-2-(acetyloxymethyl)-3-methoxy-3-oxopropanoic acid
CID 71407923
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
2-methoxycarbonyl-4-methylheptanoic acid
CID 103973369
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
dimethyl (2R,4R)-2,4-diacetylpentanedioate
CID 131845070
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
4-bromo-2-methoxycarbonylbutanoic acid
CID 84725637
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid?
The IUPAC name of 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid (CID 103973372) is 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid?
The canonical SMILES for 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid is COCC(O)CC(C(=O)O)C(=O)OC.
What is the InChIKey of 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid?
The InChIKey is SQLHQBRGIAHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-13-4-5(9)3-6(7(10)11)8(12)14-2/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid?
4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid has a molecular weight of 206.19 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid is sourced from PubChem (CID 103973372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).