4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

C12H20N2O4 — CID 66265694

IUPAC4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-14(10-7-18-6-9(10)11(15)16)12(17)13-8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyDXWHYVVUJNKIPW-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds3

About 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66265694) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66265694
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-14(10-7-18-6-9(10)11(15)16)12(17)13-8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyDXWHYVVUJNKIPW-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 114505225
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66265694) is 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NC1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DXWHYVVUJNKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14(10-7-18-6-9(10)11(15)16)12(17)13-8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).