7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H20N2O4 — CID 82729315

IUPAC7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1OCCC1NC(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C13H20N2O4/c1-7-10(4-5-19-7)14-13(18)15-8-2-3-11(15)9(6-8)12(16)17/h7-11H,2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyUIYSSHQEYOMYSH-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.81
Rot. Bonds2

About 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 82729315) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID82729315
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1OCCC1NC(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C13H20N2O4/c1-7-10(4-5-19-7)14-13(18)15-8-2-3-11(15)9(6-8)12(16)17/h7-11H,2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyUIYSSHQEYOMYSH-UHFFFAOYSA-N
XLogP0.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 83019769
7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106257966
7-(but-3-yn-2-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114418573
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
3-[(2-methyloxolan-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 82726138
trans-(1R,2R)-2-methyl-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 130637471
4-methyl-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 115869158
3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551068
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79046085
7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106340888

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 82729315) is 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC1OCCC1NC(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is UIYSSHQEYOMYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-7-10(4-5-19-7)14-13(18)15-8-2-3-11(15)9(6-8)12(16)17/h7-11H,2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyloxolan-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 82729315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).