methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C18H24N2O2 — CID 56898606

IUPACmethyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)N1C[C@@H]2C(CN(C)C3Cc4ccccc4C3)[C@@H]2C1
InChIInChI=1S/C18H24N2O2/c1-19(14-7-12-5-3-4-6-13(12)8-14)9-15-16-10-20(11-17(15)16)18(21)22-2/h3-6,14-17H,7-11H2,1-2H3/t15?,16-,17+
InChIKeyPMBCNDUDMGLDEU-ALOPSCKCSA-N
MW300.40 g/mol
LogP2.03
Rot. Bonds3

About methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 56898606) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID56898606
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namemethyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)N1C[C@@H]2C(CN(C)C3Cc4ccccc4C3)[C@@H]2C1
InChIInChI=1S/C18H24N2O2/c1-19(14-7-12-5-3-4-6-13(12)8-14)9-15-16-10-20(11-17(15)16)18(21)22-2/h3-6,14-17H,7-11H2,1-2H3/t15?,16-,17+
InChIKeyPMBCNDUDMGLDEU-ALOPSCKCSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-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

2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 47533845
methyl (1R,5S)-6-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 56884534
(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
CID 54123680
(3-methyloxetan-3-yl) 6-[2-(1,3-dihydroisoindole-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162501713
tert-butyl (1S,5R)-6-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 70142250
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
CID 106703120
N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 56898606) is methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is COC(=O)N1C[C@@H]2C(CN(C)C3Cc4ccccc4C3)[C@@H]2C1.
What is the InChIKey of methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is PMBCNDUDMGLDEU-ALOPSCKCSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19(14-7-12-5-3-4-6-13(12)8-14)9-15-16-10-20(11-17(15)16)18(21)22-2/h3-6,14-17H,7-11H2,1-2H3/t15?,16-,17+.
What are the key properties of methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 56898606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).