3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one

C8H12N2O2 — CID 55294092

IUPAC3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
SMILESCOC[C@H](N)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-12-5-7(9)6-3-2-4-10-8(6)11/h2-4,7H,5,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyZVVLTHJCKXKZFN-ZETCQYMHSA-N
MW168.20 g/mol
LogP0.02
Rot. Bonds3

About 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one

3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one (PubChem CID 55294092) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
PubChem CID55294092
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
SMILESCOC[C@H](N)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-12-5-7(9)6-3-2-4-10-8(6)11/h2-4,7H,5,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyZVVLTHJCKXKZFN-ZETCQYMHSA-N
XLogP0.02
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one (CID 55294092) is 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one is COC[C@H](N)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one?
The InChIKey is ZVVLTHJCKXKZFN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-5-7(9)6-3-2-4-10-8(6)11/h2-4,7H,5,9H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one?
3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one is sourced from PubChem (CID 55294092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).