(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C6H10N2O — CID 58594265

IUPAC(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2CC2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4?,5-/m0/s1
InChIKeyMCEWPPMUTVLMJG-DSDZBIDZSA-N
MW126.16 g/mol
LogP-0.78
Rot. Bonds1

About (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 58594265) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID58594265
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2CC2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4?,5-/m0/s1
InChIKeyMCEWPPMUTVLMJG-DSDZBIDZSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 58594265) is (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)[C@@H]1C[C@@H]2CC2N1.
What is the InChIKey of (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is MCEWPPMUTVLMJG-DSDZBIDZSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4?,5-/m0/s1.
What are the key properties of (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 58594265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).