3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C13H18N2O4S — CID 66250152

IUPAC3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLCFQKONYEIAAHF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.38
Rot. Bonds4

About 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66250152) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66250152
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLCFQKONYEIAAHF-UHFFFAOYSA-N
XLogP1.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
3-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]oxolane-3-carboxylic acid
CID 66249495
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 80644457
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
4-[[but-3-enyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114265053
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216332
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116563126
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66249657
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66250152) is 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(Cc1cccs1)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LCFQKONYEIAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66250152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).