7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C12H18N2O3 — CID 81168826

IUPAC7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1(C(=O)N2C3CCC2C(C(=O)O)C3)CCC1
InChIInChI=1S/C12H18N2O3/c13-12(4-1-5-12)11(17)14-7-2-3-9(14)8(6-7)10(15)16/h7-9H,1-6,13H2,(H,15,16)
InChIKeyKDNNFUZYNMKYLU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.33
Rot. Bonds2

About 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 81168826) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID81168826
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1(C(=O)N2C3CCC2C(C(=O)O)C3)CCC1
InChIInChI=1S/C12H18N2O3/c13-12(4-1-5-12)11(17)14-7-2-3-9(14)8(6-7)10(15)16/h7-9H,1-6,13H2,(H,15,16)
InChIKeyKDNNFUZYNMKYLU-UHFFFAOYSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 81168826) is 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is NC1(C(=O)N2C3CCC2C(C(=O)O)C3)CCC1.
What is the InChIKey of 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is KDNNFUZYNMKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-12(4-1-5-12)11(17)14-7-2-3-9(14)8(6-7)10(15)16/h7-9H,1-6,13H2,(H,15,16).
What are the key properties of 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 81168826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).