2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid

C9H11NO3S2 — CID 43356283

IUPAC2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1cccs1
InChIInChI=1S/C9H11NO3S2/c1-10(5-8(12)13)7(11)6-15-9-3-2-4-14-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyWOUXJKABXNPKRJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.38
Rot. Bonds5

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

2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid (PubChem CID 43356283) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
PubChem CID43356283
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1cccs1
InChIInChI=1S/C9H11NO3S2/c1-10(5-8(12)13)7(11)6-15-9-3-2-4-14-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyWOUXJKABXNPKRJ-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid (CID 43356283) is 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid is CN(CC(=O)O)C(=O)CSc1cccs1.
What is the InChIKey of 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The InChIKey is WOUXJKABXNPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-10(5-8(12)13)7(11)6-15-9-3-2-4-14-9/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
2-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 1.38, 5 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-ylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 43356283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).