3-hydroxy-4-propan-2-yloxybutanoic acid

C7H14O4 — CID 65416827

IUPAC3-hydroxy-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCC(O)CC(=O)O
InChIInChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYBROHMXFBJZMLI-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.25
Rot. Bonds5

About 3-hydroxy-4-propan-2-yloxybutanoic acid

3-hydroxy-4-propan-2-yloxybutanoic acid (PubChem CID 65416827) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yloxybutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yloxybutanoic acid
PubChem CID65416827
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-hydroxy-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCC(O)CC(=O)O
InChIInChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYBROHMXFBJZMLI-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-4-propan-2-yloxybutanoic 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

(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
CID 173266858
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
CID 87458706
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
diethyl 2-(2-hydroxy-3-propan-2-yloxypropyl)propanedioate
CID 112696152
3-hydroxypentanoic acid;methanol
CID 174973747
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-yloxybutanoic acid?
The IUPAC name of 3-hydroxy-4-propan-2-yloxybutanoic acid (CID 65416827) is 3-hydroxy-4-propan-2-yloxybutanoic acid.
What is the SMILES notation for 3-hydroxy-4-propan-2-yloxybutanoic acid?
The canonical SMILES for 3-hydroxy-4-propan-2-yloxybutanoic acid is CC(C)OCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-propan-2-yloxybutanoic acid?
The InChIKey is YBROHMXFBJZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-hydroxy-4-propan-2-yloxybutanoic acid?
3-hydroxy-4-propan-2-yloxybutanoic acid has a molecular weight of 162.18 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yloxybutanoic acid is sourced from PubChem (CID 65416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).