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

C11H19NO3 — CID 66235815

IUPAC4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-12(5-8-3-2-4-8)10-7-15-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyIGOAKKHCODIJNV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds4

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

4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235815) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235815
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-12(5-8-3-2-4-8)10-7-15-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyIGOAKKHCODIJNV-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235815) is 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid is CN(CC1CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IGOAKKHCODIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(5-8-3-2-4-8)10-7-15-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid?
4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).