2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

C10H14N2O4S — CID 115285276

IUPAC2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCN(CCO)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O4S/c1-12(4-5-13)10(16)11-8(9(14)15)7-3-2-6-17-7/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyDDOBTSXSPOERHO-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.51
Rot. Bonds5

About 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115285276) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115285276
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCN(CCO)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O4S/c1-12(4-5-13)10(16)11-8(9(14)15)7-3-2-6-17-7/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyDDOBTSXSPOERHO-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 106917229
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278882
2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285378
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278919
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2R)-4-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005739
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (CID 115285276) is 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is CN(CCO)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is DDOBTSXSPOERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(4-5-13)10(16)11-8(9(14)15)7-3-2-6-17-7/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 258.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).