1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one

C9H13FN2O — CID 141424034

IUPAC1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
SMILESC[C@H](CN)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-7(4-11)5-12-6-8(10)2-3-9(12)13/h2-3,6-7H,4-5,11H2,1H3/t7-/m1/s1
InChIKeyPQCDQLFPHMDHQP-SSDOTTSWSA-N
MW184.21 g/mol
LogP0.58
Rot. Bonds3

About 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one

1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one (PubChem CID 141424034) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
PubChem CID141424034
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
SMILESC[C@H](CN)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-7(4-11)5-12-6-8(10)2-3-9(12)13/h2-3,6-7H,4-5,11H2,1H3/t7-/m1/s1
InChIKeyPQCDQLFPHMDHQP-SSDOTTSWSA-N
XLogP0.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one (CID 141424034) is 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one is C[C@H](CN)Cn1cc(F)ccc1=O.
What is the InChIKey of 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one?
The InChIKey is PQCDQLFPHMDHQP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(4-11)5-12-6-8(10)2-3-9(12)13/h2-3,6-7H,4-5,11H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one?
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 141424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).