3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one

C9H13N3O — CID 137457656

IUPAC3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@@H]2N)c1=O
InChIInChI=1S/C9H13N3O/c10-6-3-4-8(6)12-5-1-2-7(11)9(12)13/h1-2,5-6,8H,3-4,10-11H2/t6-,8-/m0/s1
InChIKeyGESQNSOOVHBIQH-XPUUQOCRSA-N
MW179.22 g/mol
LogP0.09
Rot. Bonds1

About 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one

3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one (PubChem CID 137457656) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
PubChem CID137457656
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@@H]2N)c1=O
InChIInChI=1S/C9H13N3O/c10-6-3-4-8(6)12-5-1-2-7(11)9(12)13/h1-2,5-6,8H,3-4,10-11H2/t6-,8-/m0/s1
InChIKeyGESQNSOOVHBIQH-XPUUQOCRSA-N
XLogP0.09
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one (CID 137457656) is 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one is Nc1cccn([C@H]2CC[C@@H]2N)c1=O.
What is the InChIKey of 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one?
The InChIKey is GESQNSOOVHBIQH-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H13N3O/c10-6-3-4-8(6)12-5-1-2-7(11)9(12)13/h1-2,5-6,8H,3-4,10-11H2/t6-,8-/m0/s1.
What are the key properties of 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one?
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one is sourced from PubChem (CID 137457656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).