methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate

C8H13NO2 — CID 84650185

IUPACmethyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
SMILESCOC(=O)C1CC[C@H]2[C@H](N)[C@@H]12
InChIInChI=1S/C8H13NO2/c1-11-8(10)5-3-2-4-6(5)7(4)9/h4-7H,2-3,9H2,1H3/t4-,5?,6-,7+/m1/s1
InChIKeyMPFCISOVYFWDEJ-ZUMNNYEFSA-N
MW155.20 g/mol
LogP0.14
Rot. Bonds1

About methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate

methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 84650185) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
PubChem CID84650185
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
SMILESCOC(=O)C1CC[C@H]2[C@H](N)[C@@H]12
InChIInChI=1S/C8H13NO2/c1-11-8(10)5-3-2-4-6(5)7(4)9/h4-7H,2-3,9H2,1H3/t4-,5?,6-,7+/m1/s1
InChIKeyMPFCISOVYFWDEJ-ZUMNNYEFSA-N
XLogP0.14
TPSA52.32 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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-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

Related Compounds

methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457
methyl (1R,2R,4S,5S,6S,7R)-7-aminotricyclo[3.2.2.02,4]nonane-6-carboxylate;hydrochloride
CID 131728832
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 172613050
2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 564809
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
CID 90482461

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate (CID 84650185) is methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate is COC(=O)C1CC[C@H]2[C@H](N)[C@@H]12.
What is the InChIKey of methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is MPFCISOVYFWDEJ-ZUMNNYEFSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)5-3-2-4-6(5)7(4)9/h4-7H,2-3,9H2,1H3/t4-,5?,6-,7+/m1/s1.
What are the key properties of methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate?
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 84650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).