3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid

C14H26N2O3 — CID 105417376

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
SMILESCN(CC1(C(=O)O)CCOC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H26N2O3/c1-15(2)14(5-4-6-14)10-16(3)9-13(12(17)18)7-8-19-11-13/h4-11H2,1-3H3,(H,17,18)
InChIKeyVEQRKEVACVUAGI-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds6

About 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid (PubChem CID 105417376) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
PubChem CID105417376
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
SMILESCN(CC1(C(=O)O)CCOC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H26N2O3/c1-15(2)14(5-4-6-14)10-16(3)9-13(12(17)18)7-8-19-11-13/h4-11H2,1-3H3,(H,17,18)
InChIKeyVEQRKEVACVUAGI-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
3-[[methyl(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272540
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 105417449
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
3-[[3-(dimethylamino)propyl-methylamino]methyl]oxane-3-carboxylic acid
CID 55243604
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 62270513
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
CID 62270868
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxolane-3-carboxylic acid
CID 55056654
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol
CID 105418776

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid (CID 105417376) is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid is CN(CC1(C(=O)O)CCOC1)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid?
The InChIKey is VEQRKEVACVUAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15(2)14(5-4-6-14)10-16(3)9-13(12(17)18)7-8-19-11-13/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid?
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 105417376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).