2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid

C7H15NO3S — CID 116504445

IUPAC2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
SMILESCCSCCC(O)C(N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-2-12-4-3-5(9)6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyHOFJUOJELQBTFM-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.10
Rot. Bonds6

About 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid

2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid (PubChem CID 116504445) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
PubChem CID116504445
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
SMILESCCSCCC(O)C(N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-2-12-4-3-5(9)6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyHOFJUOJELQBTFM-UHFFFAOYSA-N
XLogP-0.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-ethylsulfanyl-3-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid?
The IUPAC name of 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid (CID 116504445) is 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid.
What is the SMILES notation for 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid?
The canonical SMILES for 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid is CCSCCC(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid?
The InChIKey is HOFJUOJELQBTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-12-4-3-5(9)6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11).
What are the key properties of 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid?
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid has a molecular weight of 193.27 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid is sourced from PubChem (CID 116504445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).