2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid

C7H17NO3S — CID 123357592

IUPAC2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
SMILESCCS(C)(C)OCC(N)C(=O)O
InChIInChI=1S/C7H17NO3S/c1-4-12(2,3)11-5-6(8)7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10)
InChIKeyWGEZOTQMGWANII-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.41
Rot. Bonds5

About 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid

2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid (PubChem CID 123357592) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
PubChem CID123357592
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
SMILESCCS(C)(C)OCC(N)C(=O)O
InChIInChI=1S/C7H17NO3S/c1-4-12(2,3)11-5-6(8)7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10)
InChIKeyWGEZOTQMGWANII-UHFFFAOYSA-N
XLogP0.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic 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

(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(1-aminopropoxy)propanoic acid
CID 87227256
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
2-amino-3-methylsulfanyloxypropanoic acid
CID 123638438
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid?
The IUPAC name of 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid (CID 123357592) is 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid.
What is the SMILES notation for 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid?
The canonical SMILES for 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid is CCS(C)(C)OCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid?
The InChIKey is WGEZOTQMGWANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-4-12(2,3)11-5-6(8)7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10).
What are the key properties of 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid?
2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid has a molecular weight of 195.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid is sourced from PubChem (CID 123357592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).