2-[ethyl(sulfino)amino]acetic acid

C4H9NO4S — CID 175553270

IUPAC2-[ethyl(sulfino)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)O
InChIInChI=1S/C4H9NO4S/c1-2-5(10(8)9)3-4(6)7/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyNQAZGEJSGBNZBG-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.47
Rot. Bonds4

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

2-[ethyl(sulfino)amino]acetic acid (PubChem CID 175553270) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-[ethyl(sulfino)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(sulfino)amino]acetic acid
PubChem CID175553270
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name2-[ethyl(sulfino)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)O
InChIInChI=1S/C4H9NO4S/c1-2-5(10(8)9)3-4(6)7/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyNQAZGEJSGBNZBG-UHFFFAOYSA-N
XLogP-0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[ethyl(sulfino)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(sulfanyl)amino]acetic acid
CID 22364290
2-[carboxymethyl(sulfinato)amino]-1-hydroxy-1-oxoethane
CID 57115316
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
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
trisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen sulfite
CID 162253415
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfino)amino]acetic acid?
The IUPAC name of 2-[ethyl(sulfino)amino]acetic acid (CID 175553270) is 2-[ethyl(sulfino)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(sulfino)amino]acetic acid?
The canonical SMILES for 2-[ethyl(sulfino)amino]acetic acid is CCN(CC(=O)O)S(=O)O.
What is the InChIKey of 2-[ethyl(sulfino)amino]acetic acid?
The InChIKey is NQAZGEJSGBNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-2-5(10(8)9)3-4(6)7/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-[ethyl(sulfino)amino]acetic acid?
2-[ethyl(sulfino)amino]acetic acid has a molecular weight of 167.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfino)amino]acetic acid is sourced from PubChem (CID 175553270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).