methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate

C10H18N2O2 — CID 105451564

IUPACmethyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate
SMILESCOC(=O)C1(N)CCN2CCC(C2)C1
InChIInChI=1S/C10H18N2O2/c1-14-9(13)10(11)3-5-12-4-2-8(6-10)7-12/h8H,2-7,11H2,1H3
InChIKeyFYACXUVSSXXIJK-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds1

About methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate

methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate (PubChem CID 105451564) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate
PubChem CID105451564
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate
SMILESCOC(=O)C1(N)CCN2CCC(C2)C1
InChIInChI=1S/C10H18N2O2/c1-14-9(13)10(11)3-5-12-4-2-8(6-10)7-12/h8H,2-7,11H2,1H3
InChIKeyFYACXUVSSXXIJK-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate?
The IUPAC name of methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate (CID 105451564) is methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate?
The canonical SMILES for methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate is COC(=O)C1(N)CCN2CCC(C2)C1.
What is the InChIKey of methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate?
The InChIKey is FYACXUVSSXXIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(13)10(11)3-5-12-4-2-8(6-10)7-12/h8H,2-7,11H2,1H3.
What are the key properties of methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate?
methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate has a molecular weight of 198.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate is sourced from PubChem (CID 105451564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).