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

C10H16N2O — CID 70316156

IUPAC1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one
SMILESCC(C)[C@H](N)Cn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-8(2)9(11)7-12-6-4-3-5-10(12)13/h3-6,8-9H,7,11H2,1-2H3/t9-/m1/s1
InChIKeyPCRQLZVARNUHNA-SECBINFHSA-N
MW180.25 g/mol
LogP0.83
Rot. Bonds3

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

1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one (PubChem CID 70316156) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one
PubChem CID70316156
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one
SMILESCC(C)[C@H](N)Cn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-8(2)9(11)7-12-6-4-3-5-10(12)13/h3-6,8-9H,7,11H2,1-2H3/t9-/m1/s1
InChIKeyPCRQLZVARNUHNA-SECBINFHSA-N
XLogP0.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.83
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-methylbutyl]pyridin-2-one?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one (CID 70316156) is 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one is CC(C)[C@H](N)Cn1ccccc1=O.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one?
The InChIKey is PCRQLZVARNUHNA-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)9(11)7-12-6-4-3-5-10(12)13/h3-6,8-9H,7,11H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one?
1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.83, 3 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-methylbutyl]pyridin-2-one is sourced from PubChem (CID 70316156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).