2-(2-aminoethylsulfanyl)-2-propylpentanoic acid

C10H21NO2S — CID 114988689

IUPAC2-(2-aminoethylsulfanyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(SCCN)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-3-5-10(6-4-2,9(12)13)14-8-7-11/h3-8,11H2,1-2H3,(H,12,13)
InChIKeyLZJPMGPNKRSWRK-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.10
Rot. Bonds8

About 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid

2-(2-aminoethylsulfanyl)-2-propylpentanoic acid (PubChem CID 114988689) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-2-propylpentanoic acid
PubChem CID114988689
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(2-aminoethylsulfanyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(SCCN)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-3-5-10(6-4-2,9(12)13)14-8-7-11/h3-8,11H2,1-2H3,(H,12,13)
InChIKeyLZJPMGPNKRSWRK-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethylsulfanyl)-2-propylpentanoic 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-(2-aminoethylsulfanyl)-2-propylpentanoic acid?
The IUPAC name of 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid (CID 114988689) is 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid is CCCC(CCC)(SCCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid?
The InChIKey is LZJPMGPNKRSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-5-10(6-4-2,9(12)13)14-8-7-11/h3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid?
2-(2-aminoethylsulfanyl)-2-propylpentanoic acid has a molecular weight of 219.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-2-propylpentanoic acid is sourced from PubChem (CID 114988689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).