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

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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).