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

C7H11NO2 — CID 10953607

IUPACmethyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@]12C[C@H]1CCN2
InChIInChI=1S/C7H11NO2/c1-10-6(9)7-4-5(7)2-3-8-7/h5,8H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyLZKGHFYTMJOLSL-VDTYLAMSSA-N
MW141.17 g/mol
LogP-0.09
Rot. Bonds1

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

methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 10953607) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID10953607
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@]12C[C@H]1CCN2
InChIInChI=1S/C7H11NO2/c1-10-6(9)7-4-5(7)2-3-8-7/h5,8H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyLZKGHFYTMJOLSL-VDTYLAMSSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 11366996
(1R,2S,5S)-3-Azabicyclo[3.1.0]Hexane-2-Carboxylic Acid
CID 11073435
methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 11229499
Sodium (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 163283385
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
CID 11229498
cis-3-Azabicyclo(3.1.0)hexane-2-carboxylic acid
CID 12851883
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
Ethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 13150528
Methyl 2-methylpyrrolidine-2-carboxylate
CID 13595679
2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride
CID 18567880
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride
CID 20849999

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate (CID 10953607) is methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)[C@]12C[C@H]1CCN2.
What is the InChIKey of methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is LZKGHFYTMJOLSL-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-6(9)7-4-5(7)2-3-8-7/h5,8H,2-4H2,1H3/t5-,7+/m1/s1.
What are the key properties of methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate?
methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 141.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-2-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 10953607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).