(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid

C15H22N4O2 — CID 155209083

IUPAC(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12C[C@H](CN1C(=O)O)N(c1ccc(N)nc1)C2
InChIInChI=1S/C15H22N4O2/c1-14(2,3)15-6-11(8-19(15)13(20)21)18(9-15)10-4-5-12(16)17-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H2,16,17)(H,20,21)/t11-,15?/m1/s1
InChIKeyRSYFGQOXRIUCBJ-ZRKZCGFPSA-N
MW290.37 g/mol
LogP2.02
Rot. Bonds1

About (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid

(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 155209083) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID155209083
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12C[C@H](CN1C(=O)O)N(c1ccc(N)nc1)C2
InChIInChI=1S/C15H22N4O2/c1-14(2,3)15-6-11(8-19(15)13(20)21)18(9-15)10-4-5-12(16)17-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H2,16,17)(H,20,21)/t11-,15?/m1/s1
InChIKeyRSYFGQOXRIUCBJ-ZRKZCGFPSA-N
XLogP2.02
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid (CID 155209083) is (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)(C)C12C[C@H](CN1C(=O)O)N(c1ccc(N)nc1)C2.
What is the InChIKey of (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RSYFGQOXRIUCBJ-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2,3)15-6-11(8-19(15)13(20)21)18(9-15)10-4-5-12(16)17-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H2,16,17)(H,20,21)/t11-,15?/m1/s1.
What are the key properties of (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid?
(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 155209083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).