(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid

C8H13NO2 — CID 118116625

IUPAC(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCCN1CC[C@@H]2C[C@@]21C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-9-4-3-6-5-8(6,9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyGXHBUMPPSKSTPQ-SVRRBLITSA-N
MW155.20 g/mol
LogP0.56
Rot. Bonds2

About (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid

(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 118116625) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID118116625
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCCN1CC[C@@H]2C[C@@]21C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-9-4-3-6-5-8(6,9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyGXHBUMPPSKSTPQ-SVRRBLITSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 118116625) is (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid is CCN1CC[C@@H]2C[C@@]21C(=O)O.
What is the InChIKey of (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is GXHBUMPPSKSTPQ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-9-4-3-6-5-8(6,9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid?
(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 118116625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).