methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate

C15H19NO2 — CID 129499579

IUPACmethyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
SMILESCOC(=O)[C@]12CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H19NO2/c1-18-14(17)15-8-7-13(15)10-16(11-15)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1
InChIKeyRRJBIWLHSMLLKD-HIFRSBDPSA-N
MW245.32 g/mol
LogP2.07
Rot. Bonds3

About methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate

methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate (PubChem CID 129499579) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
PubChem CID129499579
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
SMILESCOC(=O)[C@]12CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H19NO2/c1-18-14(17)15-8-7-13(15)10-16(11-15)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1
InChIKeyRRJBIWLHSMLLKD-HIFRSBDPSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-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

methyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 172908460
(2-benzyl-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl)methanol;methyl 2-benzyl-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylate
CID 157287770
tert-butyl 2,5-dibenzyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate
CID 11200194
methyl (3aS,6aS)-2-[(2-acetamidophenyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 98888201
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
CID 126511178
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
methyl (3S,4S)-1,3-dibenzyl-4-methylpyrrolidine-3-carboxylate
CID 101214366
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 167716634
methyl (2S,6R)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxylate
CID 57227424
(3aS,6aR)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045354
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate?
The IUPAC name of methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate (CID 129499579) is methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate.
What is the SMILES notation for methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate?
The canonical SMILES for methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate is COC(=O)[C@]12CC[C@@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate?
The InChIKey is RRJBIWLHSMLLKD-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-14(17)15-8-7-13(15)10-16(11-15)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate?
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate is sourced from PubChem (CID 129499579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).