4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid

C15H25NO3 — CID 112743509

IUPAC4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H25NO3/c1-16(13-9-19-8-12(13)15(17)18)14(10-4-2-5-10)11-6-3-7-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyQNJGLKLQUOFLMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.99
Rot. Bonds5

About 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid

4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 112743509) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID112743509
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H25NO3/c1-16(13-9-19-8-12(13)15(17)18)14(10-4-2-5-10)11-6-3-7-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyQNJGLKLQUOFLMD-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430

Frequently Asked Questions

What is the IUPAC name of 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid (CID 112743509) is 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid is CN(C1COCC1C(=O)O)C(C1CCC1)C1CCC1.
What is the InChIKey of 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is QNJGLKLQUOFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16(13-9-19-8-12(13)15(17)18)14(10-4-2-5-10)11-6-3-7-11/h10-14H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 112743509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).