2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

C12H18N2O3S — CID 113278882

IUPAC2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCCCN(CC)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-7-14(4-2)12(17)13-10(11(15)16)9-6-5-8-18-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYVVFQDIPRSRHFB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.32
Rot. Bonds6

About 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 113278882) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID113278882
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCCCN(CC)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-7-14(4-2)12(17)13-10(11(15)16)9-6-5-8-18-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYVVFQDIPRSRHFB-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278919
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285276
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 103339786
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
3-[ethyl(1-thiophen-2-ylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62853749
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (CID 113278882) is 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is CCCN(CC)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is YVVFQDIPRSRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-7-14(4-2)12(17)13-10(11(15)16)9-6-5-8-18-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 270.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).