(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide

C6H10N2O — CID 23594350

IUPAC(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5+/m1/s1
InChIKeyKWAIYQAHLXWVKC-WDCZJNDASA-N
MW126.16 g/mol
LogP-0.92
Rot. Bonds1

About (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 23594350) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID23594350
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5+/m1/s1
InChIKeyKWAIYQAHLXWVKC-WDCZJNDASA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxamide
CID 11506821
4-Methylpiperidine-2-carboxamide
CID 18470916
2-Azabicyclo(3.1.0)hexane-3-carboxamide, (1S,3S,5S)-
CID 21094662
4,5-Methano-l-proline amide
CID 21338924
6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 66735461
(2S)-4-[(1S)-1-fluoroethyl]pyrrolidine-2-carboxamide
CID 143369831
1-(3-Fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459682
1-[(3-Fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459705
1-(2,2-Difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459711
1-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459717
1-(2-Fluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459729
1-(3,3-Difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853038

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 23594350) is (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide is NC(=O)[C@H]1NC[C@H]2C[C@H]21.
What is the InChIKey of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is KWAIYQAHLXWVKC-WDCZJNDASA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5+/m1/s1.
What are the key properties of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 23594350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).