2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid

C12H18N2O3S — CID 55097027

IUPAC2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(Cc1cccs1)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-14(8-10-6-5-7-18-10)12(17)13(3)9(2)11(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyKWBKPWJPJVWMJY-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.09
Rot. Bonds5

About 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid

2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 55097027) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID55097027
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(Cc1cccs1)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-14(8-10-6-5-7-18-10)12(17)13(3)9(2)11(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyKWBKPWJPJVWMJY-UHFFFAOYSA-N
XLogP2.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 79488513
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid (CID 55097027) is 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid is CCN(Cc1cccs1)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is KWBKPWJPJVWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14(8-10-6-5-7-18-10)12(17)13(3)9(2)11(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid?
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 55097027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).