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

C11H18N2O — CID 58799714

IUPAC1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one
SMILESCC(C)(C)[C@H](N)Cn1ccccc1=O
InChIInChI=1S/C11H18N2O/c1-11(2,3)9(12)8-13-7-5-4-6-10(13)14/h4-7,9H,8,12H2,1-3H3/t9-/m1/s1
InChIKeyDAMLVVASQIDOEA-SECBINFHSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds2

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

1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one (PubChem CID 58799714) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one
PubChem CID58799714
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one
SMILESCC(C)(C)[C@H](N)Cn1ccccc1=O
InChIInChI=1S/C11H18N2O/c1-11(2,3)9(12)8-13-7-5-4-6-10(13)14/h4-7,9H,8,12H2,1-3H3/t9-/m1/s1
InChIKeyDAMLVVASQIDOEA-SECBINFHSA-N
XLogP1.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one?
The IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one (CID 58799714) is 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one is CC(C)(C)[C@H](N)Cn1ccccc1=O.
What is the InChIKey of 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one?
The InChIKey is DAMLVVASQIDOEA-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)9(12)8-13-7-5-4-6-10(13)14/h4-7,9H,8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one?
1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3,3-dimethylbutyl]pyridin-2-one is sourced from PubChem (CID 58799714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).