3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid

C11H16N2O3S — CID 61196356

IUPAC3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-13(6-5-10(14)15)11(16)12-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15)
InChIKeyLHDSUJIGJYGGBA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.75
Rot. Bonds6

About 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid

3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 61196356) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID61196356
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-13(6-5-10(14)15)11(16)12-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15)
InChIKeyLHDSUJIGJYGGBA-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
3-[ethyl-[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119191173
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid (CID 61196356) is 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)NCc1cccs1.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is LHDSUJIGJYGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-13(6-5-10(14)15)11(16)12-8-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid?
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).