2-acetamido-2-thiophen-2-ylacetic acid;methane

C9H13NO3S — CID 21485358

IUPAC2-acetamido-2-thiophen-2-ylacetic acid;methane
SMILESC.CC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C8H9NO3S.CH4/c1-5(10)9-7(8(11)12)6-3-2-4-13-6;/h2-4,7H,1H3,(H,9,10)(H,11,12);1H4
InChIKeyLNHLRUIHQFGYMU-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.65
Rot. Bonds3

About 2-acetamido-2-thiophen-2-ylacetic acid;methane

2-acetamido-2-thiophen-2-ylacetic acid;methane (PubChem CID 21485358) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-acetamido-2-thiophen-2-ylacetic acid;methane.

Molecular Properties

Compound Name2-acetamido-2-thiophen-2-ylacetic acid;methane
PubChem CID21485358
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-acetamido-2-thiophen-2-ylacetic acid;methane
SMILESC.CC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C8H9NO3S.CH4/c1-5(10)9-7(8(11)12)6-3-2-4-13-6;/h2-4,7H,1H3,(H,9,10)(H,11,12);1H4
InChIKeyLNHLRUIHQFGYMU-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283749
2-(but-3-yn-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 114418385
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-thiophen-2-ylacetic acid;methane?
The IUPAC name of 2-acetamido-2-thiophen-2-ylacetic acid;methane (CID 21485358) is 2-acetamido-2-thiophen-2-ylacetic acid;methane.
What is the SMILES notation for 2-acetamido-2-thiophen-2-ylacetic acid;methane?
The canonical SMILES for 2-acetamido-2-thiophen-2-ylacetic acid;methane is C.CC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-acetamido-2-thiophen-2-ylacetic acid;methane?
The InChIKey is LNHLRUIHQFGYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.CH4/c1-5(10)9-7(8(11)12)6-3-2-4-13-6;/h2-4,7H,1H3,(H,9,10)(H,11,12);1H4.
What are the key properties of 2-acetamido-2-thiophen-2-ylacetic acid;methane?
2-acetamido-2-thiophen-2-ylacetic acid;methane has a molecular weight of 215.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-thiophen-2-ylacetic acid;methane is sourced from PubChem (CID 21485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).