2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one

C9H14N2O — CID 134249515

IUPAC2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one
SMILESC[C@@H](CN)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(6-10)4-8-5-9(12)2-3-11-8/h2-3,5,7H,4,6,10H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyHYYJNPZQBJPWJB-SSDOTTSWSA-N
MW166.22 g/mol
LogP0.51
Rot. Bonds3

About 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one

2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one (PubChem CID 134249515) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one
PubChem CID134249515
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one
SMILESC[C@@H](CN)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(6-10)4-8-5-9(12)2-3-11-8/h2-3,5,7H,4,6,10H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyHYYJNPZQBJPWJB-SSDOTTSWSA-N
XLogP0.51
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one?
The IUPAC name of 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one (CID 134249515) is 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one is C[C@@H](CN)Cc1cc(=O)cc[nH]1.
What is the InChIKey of 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one?
The InChIKey is HYYJNPZQBJPWJB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(6-10)4-8-5-9(12)2-3-11-8/h2-3,5,7H,4,6,10H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one?
2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one is sourced from PubChem (CID 134249515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).