2-(1-hydroxypropan-2-yloxy)acetic acid

C5H10O4 — CID 23129856

IUPAC2-(1-hydroxypropan-2-yloxy)acetic acid
SMILESCC(CO)OCC(=O)O
InChIInChI=1S/C5H10O4/c1-4(2-6)9-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyNEHKSRUKLPVHHG-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.53
Rot. Bonds4

About 2-(1-hydroxypropan-2-yloxy)acetic acid

2-(1-hydroxypropan-2-yloxy)acetic acid (PubChem CID 23129856) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)acetic acid
PubChem CID23129856
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name2-(1-hydroxypropan-2-yloxy)acetic acid
SMILESCC(CO)OCC(=O)O
InChIInChI=1S/C5H10O4/c1-4(2-6)9-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyNEHKSRUKLPVHHG-UHFFFAOYSA-N
XLogP-0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxypropan-2-yloxy)acetic 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

2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
CID 87458706
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
2-(1-hydroxypentan-2-yloxy)acetic acid
CID 91235022
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
2-[(1S)-1-cyclopropylethoxy]acetic acid
CID 86330953
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
CID 87459792
2-[[(2S)-1-hydroxypropan-2-yl]oxymethyl]-3,3-dimethylbutanoic acid
CID 87350035

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)acetic acid?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)acetic acid (CID 23129856) is 2-(1-hydroxypropan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)acetic acid?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)acetic acid is CC(CO)OCC(=O)O.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)acetic acid?
The InChIKey is NEHKSRUKLPVHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-4(2-6)9-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(1-hydroxypropan-2-yloxy)acetic acid?
2-(1-hydroxypropan-2-yloxy)acetic acid has a molecular weight of 134.13 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)acetic acid is sourced from PubChem (CID 23129856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).