3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid

C14H19NO3 — CID 62272842

IUPAC3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1)CC1(C(=O)O)CCOC1
InChIInChI=1S/C14H19NO3/c1-15(9-12-5-3-2-4-6-12)10-14(13(16)17)7-8-18-11-14/h2-6H,7-11H2,1H3,(H,16,17)
InChIKeySMSRRTQURWRNHN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds5

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

3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 62272842) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID62272842
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1)CC1(C(=O)O)CCOC1
InChIInChI=1S/C14H19NO3/c1-15(9-12-5-3-2-4-6-12)10-14(13(16)17)7-8-18-11-14/h2-6H,7-11H2,1H3,(H,16,17)
InChIKeySMSRRTQURWRNHN-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 62270513
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
4-[[(2-bromophenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62391190
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
3-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-3-carboxylic acid
CID 63747090
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 105417376
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
3-[[methyl(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272540
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid (CID 62272842) is 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid is CN(Cc1ccccc1)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is SMSRRTQURWRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(9-12-5-3-2-4-6-12)10-14(13(16)17)7-8-18-11-14/h2-6H,7-11H2,1H3,(H,16,17).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62272842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).