7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C14H23NO3 — CID 116522744

IUPAC7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CCC(CN2C3CCC2C(C(=O)O)C3)O1
InChIInChI=1S/C14H23NO3/c1-14(2)6-5-10(18-14)8-15-9-3-4-12(15)11(7-9)13(16)17/h9-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyUERXLCXZUIQTIY-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.88
Rot. Bonds3

About 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 116522744) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID116522744
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CCC(CN2C3CCC2C(C(=O)O)C3)O1
InChIInChI=1S/C14H23NO3/c1-14(2)6-5-10(18-14)8-15-9-3-4-12(15)11(7-9)13(16)17/h9-12H,3-8H2,1-2H3,(H,16,17)
InChIKeyUERXLCXZUIQTIY-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79182011
7-(2-ethyl-2-hydroxybutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114494996
1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 116522331
7-(4-methylsulfanylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103090473
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazole-3-carboxylic acid
CID 116522339
7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79853136
7-[2-(trifluoromethylsulfanyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116616811
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051

Frequently Asked Questions

What is the IUPAC name of 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 116522744) is 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)CCC(CN2C3CCC2C(C(=O)O)C3)O1.
What is the InChIKey of 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is UERXLCXZUIQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)6-5-10(18-14)8-15-9-3-4-12(15)11(7-9)13(16)17/h9-12H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 116522744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).