5-ethylsulfanyl-2-hydroxypentanoic acid

C7H14O3S — CID 87148073

IUPAC5-ethylsulfanyl-2-hydroxypentanoic acid
SMILESCCSCCCC(O)C(=O)O
InChIInChI=1S/C7H14O3S/c1-2-11-5-3-4-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyZOMUXZDARITJNM-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.97
Rot. Bonds6

About 5-ethylsulfanyl-2-hydroxypentanoic acid

5-ethylsulfanyl-2-hydroxypentanoic acid (PubChem CID 87148073) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-hydroxypentanoic acid.

Molecular Properties

Compound Name5-ethylsulfanyl-2-hydroxypentanoic acid
PubChem CID87148073
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name5-ethylsulfanyl-2-hydroxypentanoic acid
SMILESCCSCCCC(O)C(=O)O
InChIInChI=1S/C7H14O3S/c1-2-11-5-3-4-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyZOMUXZDARITJNM-UHFFFAOYSA-N
XLogP0.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethylsulfanyl-2-hydroxypentanoic 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-hydroxy-5-propylsulfanylpentanoic acid
CID 88537858
5-ethylsulfanyl-2-hydroxypentanamide
CID 141016967
(2S,5R)-2,5-bis(3-ethylsulfanylpropyl)hexanedioic acid
CID 92532678
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyheptanoic acid
CID 2750949
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-hydroxypentanoic acid?
The IUPAC name of 5-ethylsulfanyl-2-hydroxypentanoic acid (CID 87148073) is 5-ethylsulfanyl-2-hydroxypentanoic acid.
What is the SMILES notation for 5-ethylsulfanyl-2-hydroxypentanoic acid?
The canonical SMILES for 5-ethylsulfanyl-2-hydroxypentanoic acid is CCSCCCC(O)C(=O)O.
What is the InChIKey of 5-ethylsulfanyl-2-hydroxypentanoic acid?
The InChIKey is ZOMUXZDARITJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-11-5-3-4-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-ethylsulfanyl-2-hydroxypentanoic acid?
5-ethylsulfanyl-2-hydroxypentanoic acid has a molecular weight of 178.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-hydroxypentanoic acid is sourced from PubChem (CID 87148073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).