5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C12H16N2O4S — CID 43527721

IUPAC5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccs1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O4S/c1-14(8-9-4-3-7-19-9)12(18)13-10(15)5-2-6-11(16)17/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyWVKDZVNUUUHWJP-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.67
Rot. Bonds6

About 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 43527721) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID43527721
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccs1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O4S/c1-14(8-9-4-3-7-19-9)12(18)13-10(15)5-2-6-11(16)17/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyWVKDZVNUUUHWJP-UHFFFAOYSA-N
XLogP1.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329457
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 28931995
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61440000
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 43527721) is 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CN(Cc1cccs1)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is WVKDZVNUUUHWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-14(8-9-4-3-7-19-9)12(18)13-10(15)5-2-6-11(16)17/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43527721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).