2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid

C10H14N2O4S — CID 79282464

IUPAC2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C10H14N2O4S/c1-16-4-3-12(6-9(13)14)10(15)11-8-2-5-17-7-8/h2,5,7H,3-4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyAOYCQBQCGUYZSS-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid (PubChem CID 79282464) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
PubChem CID79282464
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C10H14N2O4S/c1-16-4-3-12(6-9(13)14)10(15)11-8-2-5-17-7-8/h2,5,7H,3-4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyAOYCQBQCGUYZSS-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272091
2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79257193
2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79271168
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid (CID 79282464) is 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Nc1ccsc1.
What is the InChIKey of 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is AOYCQBQCGUYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-4-3-12(6-9(13)14)10(15)11-8-2-5-17-7-8/h2,5,7H,3-4,6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79282464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).