2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid

C16H23NO3 — CID 79928539

IUPAC2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-11-8-6-7-9-12(11)17-16(13(18)19)10-14(2,3)20-15(16,4)5/h6-9,17H,10H2,1-5H3,(H,18,19)
InChIKeyIKUMWDUESBRWHT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.21
Rot. Bonds3

About 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid

2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid (PubChem CID 79928539) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
PubChem CID79928539
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-11-8-6-7-9-12(11)17-16(13(18)19)10-14(2,3)20-15(16,4)5/h6-9,17H,10H2,1-5H3,(H,18,19)
InChIKeyIKUMWDUESBRWHT-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563434
3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 80705798
[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
CID 79927246
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
ethyl 2,4,4-trimethyl-1-(2-methylanilino)cyclopentane-1-carboxylate
CID 106663327
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
2,2,5,5-tetramethyl-3-(methylamino)oxolane-3-carboxamide
CID 79928889

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid?
The IUPAC name of 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid (CID 79928539) is 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid?
The InChIKey is IKUMWDUESBRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-8-6-7-9-12(11)17-16(13(18)19)10-14(2,3)20-15(16,4)5/h6-9,17H,10H2,1-5H3,(H,18,19).
What are the key properties of 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid?
2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 79928539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).