4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 66238579

IUPAC4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-15-7(2-3-13-15)4-12-11(18)14-9-6-19-5-8(9)10(16)17/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H2,12,14,18)
InChIKeyXYAOTMSSXOHLNJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.68
Rot. Bonds4

About 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238579) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238579
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-15-7(2-3-13-15)4-12-11(18)14-9-6-19-5-8(9)10(16)17/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H2,12,14,18)
InChIKeyXYAOTMSSXOHLNJ-UHFFFAOYSA-N
XLogP-0.68
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 66238579) is 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is Cn1nccc1CNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is XYAOTMSSXOHLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-15-7(2-3-13-15)4-12-11(18)14-9-6-19-5-8(9)10(16)17/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H2,12,14,18).
What are the key properties of 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).