3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid

C13H20N2O3S — CID 79487712

IUPAC3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H20N2O3S/c1-3-15(9-7-12(16)17)13(18)14(2)8-6-11-5-4-10-19-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyUEQFVWZTIDSOMV-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.14
Rot. Bonds7

About 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid

3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 79487712) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID79487712
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H20N2O3S/c1-3-15(9-7-12(16)17)13(18)14(2)8-6-11-5-4-10-19-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyUEQFVWZTIDSOMV-UHFFFAOYSA-N
XLogP2.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid (CID 79487712) is 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)CCc1cccs1.
What is the InChIKey of 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is UEQFVWZTIDSOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-15(9-7-12(16)17)13(18)14(2)8-6-11-5-4-10-19-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79487712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).