methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate

C13H24N2O2 — CID 64710090

IUPACmethyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CC2CCC1C2
InChIInChI=1S/C13H24N2O2/c1-9(7-13(2,14)12(16)17-3)15-8-10-4-5-11(15)6-10/h9-11H,4-8,14H2,1-3H3
InChIKeyJALDOFDBIQALIO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate

methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate (PubChem CID 64710090) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate
PubChem CID64710090
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CC2CCC1C2
InChIInChI=1S/C13H24N2O2/c1-9(7-13(2,14)12(16)17-3)15-8-10-4-5-11(15)6-10/h9-11H,4-8,14H2,1-3H3
InChIKeyJALDOFDBIQALIO-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate (CID 64710090) is methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate is COC(=O)C(C)(N)CC(C)N1CC2CCC1C2.
What is the InChIKey of methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate?
The InChIKey is JALDOFDBIQALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(7-13(2,14)12(16)17-3)15-8-10-4-5-11(15)6-10/h9-11H,4-8,14H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate?
methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate has a molecular weight of 240.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentanoate is sourced from PubChem (CID 64710090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).