2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid

C10H14N2O3S — CID 66355244

IUPAC2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)Nc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-3-8(9(13)14)12(2)10(15)11-7-4-5-16-6-7/h4-6,8H,3H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyFPTHIKFJSYVUMQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.08
Rot. Bonds4

About 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid

2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid (PubChem CID 66355244) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid
PubChem CID66355244
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)Nc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-3-8(9(13)14)12(2)10(15)11-7-4-5-16-6-7/h4-6,8H,3H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyFPTHIKFJSYVUMQ-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The IUPAC name of 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid (CID 66355244) is 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)Nc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The InChIKey is FPTHIKFJSYVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-8(9(13)14)12(2)10(15)11-7-4-5-16-6-7/h4-6,8H,3H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 66355244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).