2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid

C13H20N2O3 — CID 165477009

IUPAC2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C13H20N2O3/c16-12(10-1-2-11(10)13(17)18)15-9-4-7-3-8(5-9)14-6-7/h7-11,14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyTVQBVXZLQXYOCF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.35
Rot. Bonds3

About 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid

2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 165477009) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID165477009
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C13H20N2O3/c16-12(10-1-2-11(10)13(17)18)15-9-4-7-3-8(5-9)14-6-7/h7-11,14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyTVQBVXZLQXYOCF-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
CID 165463588
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
CID 165463592
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
6-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 141208605
N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
CID 165463568
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976203
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165469238

Frequently Asked Questions

What is the IUPAC name of 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 165477009) is 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC1CC2CNC(C2)C1.
What is the InChIKey of 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is TVQBVXZLQXYOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(10-1-2-11(10)13(17)18)15-9-4-7-3-8(5-9)14-6-7/h7-11,14H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 165477009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).