methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate

C16H23NO3 — CID 79916587

IUPACmethyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-15(2)10-13(16(3,4)20-15)17-12-9-7-6-8-11(12)14(18)19-5/h6-9,13,17H,10H2,1-5H3
InChIKeySIPLHPGRAONPPS-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.23
Rot. Bonds3

About methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate

methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate (PubChem CID 79916587) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
PubChem CID79916587
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-15(2)10-13(16(3,4)20-15)17-12-9-7-6-8-11(12)14(18)19-5/h6-9,13,17H,10H2,1-5H3
InChIKeySIPLHPGRAONPPS-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907438
methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321992
2-N,2-N-dimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)benzene-1,2-diamine
CID 79928473
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915895
2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine
CID 79907754
1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 99851999

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The IUPAC name of methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate (CID 79916587) is methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate is COC(=O)c1ccccc1NC1CC(C)(C)OC1(C)C.
What is the InChIKey of methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The InChIKey is SIPLHPGRAONPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2)10-13(16(3,4)20-15)17-12-9-7-6-8-11(12)14(18)19-5/h6-9,13,17H,10H2,1-5H3.
What are the key properties of methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate has a molecular weight of 277.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate is sourced from PubChem (CID 79916587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).