2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid

C10H14N2O3S — CID 61475397

IUPAC2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-12(6-9(13)14)10(15)11-4-2-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyCTKYZWISRRIDGN-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid

2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid (PubChem CID 61475397) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
PubChem CID61475397
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-12(6-9(13)14)10(15)11-4-2-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyCTKYZWISRRIDGN-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61196988
1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
CID 135213976
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-(2-thiophen-3-ylethyl)urea
CID 53499166
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid (CID 61475397) is 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCCc1ccsc1.
What is the InChIKey of 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is CTKYZWISRRIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(6-9(13)14)10(15)11-4-2-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid?
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61475397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).