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

C10H13NO3S2 — CID 43239816

IUPAC2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSCc1cccs1
InChIInChI=1S/C10H13NO3S2/c1-11(5-10(13)14)9(12)7-15-6-8-3-2-4-16-8/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyOCDFXCIFOMSAPV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.52
Rot. Bonds6

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

2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid (PubChem CID 43239816) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
PubChem CID43239816
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSCc1cccs1
InChIInChI=1S/C10H13NO3S2/c1-11(5-10(13)14)9(12)7-15-6-8-3-2-4-16-8/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyOCDFXCIFOMSAPV-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 107434133
2-[2-methylpropyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 62034269
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 64512159
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8505889
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide
CID 78845854
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]azetidin-3-yl]propanoic acid
CID 116681342
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid (CID 43239816) is 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)CSCc1cccs1.
What is the InChIKey of 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
The InChIKey is OCDFXCIFOMSAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-11(5-10(13)14)9(12)7-15-6-8-3-2-4-16-8/h2-4H,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid?
2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid is sourced from PubChem (CID 43239816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).