3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 66250154

IUPAC3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCn1ccc(NC(=O)NC2COCC2(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-11(9(16)17)6-19-5-7(11)12-10(18)13-8-3-4-15(2)14-8/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyQNWPUTHADJVSKW-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.03
Rot. Bonds3

About 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid

3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66250154) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66250154
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCn1ccc(NC(=O)NC2COCC2(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-11(9(16)17)6-19-5-7(11)12-10(18)13-8-3-4-15(2)14-8/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyQNWPUTHADJVSKW-UHFFFAOYSA-N
XLogP0.03
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66251119
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249974
3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66250953
3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66256432
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
3-methyl-4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66254512
4-[(5-fluoropyridine-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104638322
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid (CID 66250154) is 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid is Cn1ccc(NC(=O)NC2COCC2(C)C(=O)O)n1.
What is the InChIKey of 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is QNWPUTHADJVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(9(16)17)6-19-5-7(11)12-10(18)13-8-3-4-15(2)14-8/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H2,12,13,14,18).
What are the key properties of 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66250154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).