5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one

C9H14N2O2 — CID 130855583

IUPAC5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1[C@@](C)(N)CO
InChIInChI=1S/C9H14N2O2/c1-6-3-8(13)11-4-7(6)9(2,10)5-12/h3-4,12H,5,10H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKeyALVSHOSHDHHUKS-VIFPVBQESA-N
MW182.22 g/mol
LogP-0.15
Rot. Bonds2

About 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one

5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one (PubChem CID 130855583) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
PubChem CID130855583
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1[C@@](C)(N)CO
InChIInChI=1S/C9H14N2O2/c1-6-3-8(13)11-4-7(6)9(2,10)5-12/h3-4,12H,5,10H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKeyALVSHOSHDHHUKS-VIFPVBQESA-N
XLogP-0.15
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one (CID 130855583) is 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1[C@@](C)(N)CO.
What is the InChIKey of 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one?
The InChIKey is ALVSHOSHDHHUKS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-3-8(13)11-4-7(6)9(2,10)5-12/h3-4,12H,5,10H2,1-2H3,(H,11,13)/t9-/m0/s1.
What are the key properties of 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one?
5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130855583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).