2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

C11H14N2O5S — CID 61329457

IUPAC2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1cccs1)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H14N2O5S/c1-13(5-8-3-2-4-19-8)11(17)12-9(14)6-18-7-10(15)16/h2-4H,5-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyWYLKQBOEIKJBLM-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.52
Rot. Bonds6

About 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61329457) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61329457
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1cccs1)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H14N2O5S/c1-13(5-8-3-2-4-19-8)11(17)12-9(14)6-18-7-10(15)16/h2-4H,5-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyWYLKQBOEIKJBLM-UHFFFAOYSA-N
XLogP0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61327143
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
3-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069024
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (CID 61329457) is 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is CN(Cc1cccs1)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is WYLKQBOEIKJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-13(5-8-3-2-4-19-8)11(17)12-9(14)6-18-7-10(15)16/h2-4H,5-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 286.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).