4-chloro-2-hydroxypentanoic acid

C5H9ClO3 — CID 20550476

IUPAC4-chloro-2-hydroxypentanoic acid
SMILESCC(Cl)CC(O)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-3(6)2-4(7)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)
InChIKeyREZOXOYUYUWDSJ-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.45
Rot. Bonds3

About 4-chloro-2-hydroxypentanoic acid

4-chloro-2-hydroxypentanoic acid (PubChem CID 20550476) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-2-hydroxypentanoic acid.

Molecular Properties

Compound Name4-chloro-2-hydroxypentanoic acid
PubChem CID20550476
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name4-chloro-2-hydroxypentanoic acid
SMILESCC(Cl)CC(O)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-3(6)2-4(7)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)
InChIKeyREZOXOYUYUWDSJ-UHFFFAOYSA-N
XLogP0.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
(1-carboxy-3-chlorobutyl)azanium
CID 135075357
(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
CID 141248339
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
(2S)-2-amino-4-chloropentanoic acid;hydrochloride
CID 141325915
(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
CID 59794223
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
2,3,5-trihydroxyhexanedioic acid
CID 1737
2,5-dihydroxyhexanoic acid
CID 18424665
(2S,4S)-2-hydroxy-4-methyl-5-nitropentanoic acid
CID 11095181
alumane;2-chloropropanoic acid
CID 173230355
2,5-dichlorohexanoic acid
CID 101280267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxypentanoic acid?
The IUPAC name of 4-chloro-2-hydroxypentanoic acid (CID 20550476) is 4-chloro-2-hydroxypentanoic acid.
What is the SMILES notation for 4-chloro-2-hydroxypentanoic acid?
The canonical SMILES for 4-chloro-2-hydroxypentanoic acid is CC(Cl)CC(O)C(=O)O.
What is the InChIKey of 4-chloro-2-hydroxypentanoic acid?
The InChIKey is REZOXOYUYUWDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-3(6)2-4(7)5(8)9/h3-4,7H,2H2,1H3,(H,8,9).
What are the key properties of 4-chloro-2-hydroxypentanoic acid?
4-chloro-2-hydroxypentanoic acid has a molecular weight of 152.58 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxypentanoic acid is sourced from PubChem (CID 20550476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).