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

C11H18N2O4 — CID 66266130

IUPAC4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(11(16)12-7-3-2-4-7)9-6-17-5-8(9)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyUMFCQFRGAPSPMP-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.28
Rot. Bonds3

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

4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66266130) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66266130
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(11(16)12-7-3-2-4-7)9-6-17-5-8(9)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyUMFCQFRGAPSPMP-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 114505225
4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245153
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66266130) is 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NC1CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is UMFCQFRGAPSPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(11(16)12-7-3-2-4-7)9-6-17-5-8(9)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).