4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

C11H14N2O4S — CID 43528496

IUPAC4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccsc1)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H14N2O4S/c1-13(6-8-4-5-18-7-8)11(17)12-9(14)2-3-10(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyNYBILIFOAVYTMJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.28
Rot. Bonds5

About 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 43528496) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID43528496
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccsc1)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H14N2O4S/c1-13(6-8-4-5-18-7-8)11(17)12-9(14)2-3-10(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyNYBILIFOAVYTMJ-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61196988
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61440000
2-ethyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 79804142
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 43528496) is 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is CN(Cc1ccsc1)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is NYBILIFOAVYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-13(6-8-4-5-18-7-8)11(17)12-9(14)2-3-10(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 270.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43528496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).