methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate

C8H13NO2 — CID 129430636

IUPACmethyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CC[C@H]1NC2
InChIInChI=1S/C8H13NO2/c1-11-8(10)7-5-2-3-6(7)9-4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyWDEFHLYDZLVANE-RRKCRQDMSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds1

About methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate

methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate (PubChem CID 129430636) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
PubChem CID129430636
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CC[C@H]1NC2
InChIInChI=1S/C8H13NO2/c1-11-8(10)7-5-2-3-6(7)9-4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyWDEFHLYDZLVANE-RRKCRQDMSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1R,4S,7S)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 11423819
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 74892078
methyl (1S,2R,5R)-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 136589535
CID 156722899
CID 156722899
3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid
CID 58339464
ethyl (1R,4S,5S)-2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 167717775
methyl 3-bromo-5-cyclopropylpyrazolidine-4-carboxylate
CID 170906172
methyl 3-iodobicyclo[2.2.1]heptane-2-carboxylate
CID 134934568
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 67974121
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate?
The IUPAC name of methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate (CID 129430636) is methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate.
What is the SMILES notation for methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate?
The canonical SMILES for methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate is COC(=O)[C@@H]1[C@H]2CC[C@H]1NC2.
What is the InChIKey of methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate?
The InChIKey is WDEFHLYDZLVANE-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-3-6(7)9-4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate?
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate is sourced from PubChem (CID 129430636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).