3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid

C15H21NO3 — CID 62270868

IUPAC3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
SMILESCc1cc(C)cc(N(C)CC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C15H21NO3/c1-11-6-12(2)8-13(7-11)16(3)9-15(14(17)18)4-5-19-10-15/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyKDZKYHWMXSYTKS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds4

About 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid

3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid (PubChem CID 62270868) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
PubChem CID62270868
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
SMILESCc1cc(C)cc(N(C)CC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C15H21NO3/c1-11-6-12(2)8-13(7-11)16(3)9-15(14(17)18)4-5-19-10-15/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyKDZKYHWMXSYTKS-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
CID 64892237
3-[(N-ethyl-4-methylanilino)methyl]oxolane-3-carboxylic acid
CID 62272520
3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62739415
3-[(3-methoxy-N-methylanilino)methyl]oxane-3-carboxylic acid
CID 63745893
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 105417376
1-[(N,3-dimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 55055217
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
3-[(N,2,4,5-tetramethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248373
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963
3-[(2,5-dimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62740971
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353

Frequently Asked Questions

What is the IUPAC name of 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid (CID 62270868) is 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid is Cc1cc(C)cc(N(C)CC2(C(=O)O)CCOC2)c1.
What is the InChIKey of 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid?
The InChIKey is KDZKYHWMXSYTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-12(2)8-13(7-11)16(3)9-15(14(17)18)4-5-19-10-15/h6-8H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid?
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62270868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).