2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid

C11H14N2O4S2 — CID 107434133

IUPAC2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CSCc1cccs1
InChIInChI=1S/C11H14N2O4S2/c12-9(14)4-13(5-11(16)17)10(15)7-18-6-8-2-1-3-19-8/h1-3H,4-7H2,(H2,12,14)(H,16,17)
InChIKeyAQNFGBBYFJRRKA-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.38
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid (PubChem CID 107434133) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
PubChem CID107434133
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CSCc1cccs1
InChIInChI=1S/C11H14N2O4S2/c12-9(14)4-13(5-11(16)17)10(15)7-18-6-8-2-1-3-19-8/h1-3H,4-7H2,(H2,12,14)(H,16,17)
InChIKeyAQNFGBBYFJRRKA-UHFFFAOYSA-N
XLogP0.38
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]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-[2-methylpropyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 62034269
2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 43239816
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
2-[(2-amino-2-oxoethyl)-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 107434105
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 107434740
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid (CID 107434133) is 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)CSCc1cccs1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The InChIKey is AQNFGBBYFJRRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c12-9(14)4-13(5-11(16)17)10(15)7-18-6-8-2-1-3-19-8/h1-3H,4-7H2,(H2,12,14)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid has a molecular weight of 302.38 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid is sourced from PubChem (CID 107434133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).