2-[ethyl(sulfanyl)amino]acetic acid

C4H9NO2S — CID 22364290

IUPAC2-[ethyl(sulfanyl)amino]acetic acid
SMILESCCN(S)CC(=O)O
InChIInChI=1S/C4H9NO2S/c1-2-5(8)3-4(6)7/h8H,2-3H2,1H3,(H,6,7)
InChIKeyOGWUCCFGWNVISF-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.24
Rot. Bonds3

About 2-[ethyl(sulfanyl)amino]acetic acid

2-[ethyl(sulfanyl)amino]acetic acid (PubChem CID 22364290) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-[ethyl(sulfanyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(sulfanyl)amino]acetic acid
PubChem CID22364290
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name2-[ethyl(sulfanyl)amino]acetic acid
SMILESCCN(S)CC(=O)O
InChIInChI=1S/C4H9NO2S/c1-2-5(8)3-4(6)7/h8H,2-3H2,1H3,(H,6,7)
InChIKeyOGWUCCFGWNVISF-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[ethyl(sulfanyl)amino]acetic 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-[ethyl(sulfino)amino]acetic acid
CID 175553270
2-[ethyl(sulfanyl)amino]acetic acid;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174533441
2-[ethyl(methoxy)amino]acetic acid
CID 87131030
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfanyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(sulfanyl)amino]acetic acid (CID 22364290) is 2-[ethyl(sulfanyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(sulfanyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(sulfanyl)amino]acetic acid is CCN(S)CC(=O)O.
What is the InChIKey of 2-[ethyl(sulfanyl)amino]acetic acid?
The InChIKey is OGWUCCFGWNVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-2-5(8)3-4(6)7/h8H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-[ethyl(sulfanyl)amino]acetic acid?
2-[ethyl(sulfanyl)amino]acetic acid has a molecular weight of 135.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfanyl)amino]acetic acid is sourced from PubChem (CID 22364290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).