4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

C14H20N2O4S — CID 66265943

IUPAC4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(CNC(=O)N(C)C2COCC2C(=O)O)sc1C
InChIInChI=1S/C14H20N2O4S/c1-8-4-10(21-9(8)2)5-15-14(19)16(3)12-7-20-6-11(12)13(17)18/h4,11-12H,5-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRRFHQFDDZZAPCA-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.61
Rot. Bonds4

About 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66265943) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66265943
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(CNC(=O)N(C)C2COCC2C(=O)O)sc1C
InChIInChI=1S/C14H20N2O4S/c1-8-4-10(21-9(8)2)5-15-14(19)16(3)12-7-20-6-11(12)13(17)18/h4,11-12H,5-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRRFHQFDDZZAPCA-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 81176837
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266895
4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 66265943) is 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is Cc1cc(CNC(=O)N(C)C2COCC2C(=O)O)sc1C.
What is the InChIKey of 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RRFHQFDDZZAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-4-10(21-9(8)2)5-15-14(19)16(3)12-7-20-6-11(12)13(17)18/h4,11-12H,5-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).