methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate

C8H13NO3 — CID 54081152

IUPACmethyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)N1C[C@@H]2C[C@@H](O)[C@H]1C2
InChIInChI=1S/C8H13NO3/c1-12-8(11)9-4-5-2-6(9)7(10)3-5/h5-7,10H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyMNEZUAGPUURVME-RRKCRQDMSA-N
MW171.20 g/mol
LogP0.21
Rot. Bonds

About methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate

methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 54081152) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID54081152
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)N1C[C@@H]2C[C@@H](O)[C@H]1C2
InChIInChI=1S/C8H13NO3/c1-12-8(11)9-4-5-2-6(9)7(10)3-5/h5-7,10H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyMNEZUAGPUURVME-RRKCRQDMSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate (CID 54081152) is methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate is COC(=O)N1C[C@@H]2C[C@@H](O)[C@H]1C2.
What is the InChIKey of methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is MNEZUAGPUURVME-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H13NO3/c1-12-8(11)9-4-5-2-6(9)7(10)3-5/h5-7,10H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate?
methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 54081152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).