4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C12H20N2O2 — CID 131472336

IUPAC4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c([C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H20N2O2/c1-7-10(16)9(8(6-15)5-14-7)11(13)12(2,3)4/h5,11,15-16H,6,13H2,1-4H3/t11-/m0/s1
InChIKeyLVGBIYUHBDYVBX-NSHDSACASA-N
MW224.30 g/mol
LogP1.63
Rot. Bonds2

About 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 131472336) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID131472336
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c([C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H20N2O2/c1-7-10(16)9(8(6-15)5-14-7)11(13)12(2,3)4/h5,11,15-16H,6,13H2,1-4H3/t11-/m0/s1
InChIKeyLVGBIYUHBDYVBX-NSHDSACASA-N
XLogP1.63
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171242306
4-[(1S)-1,2-diaminoethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131104221
4-[amino(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 143542315
4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207938
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
5-(hydroxymethyl)-4-[hydroxy(sulfanyl)methyl]-2-methylpyridin-3-ol
CID 57165678
4-[(1S)-1-amino-3-fluoropropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171227493
4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171207906
(3R)-3-amino-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanenitrile;hydrochloride
CID 171260495
4-[hydroxy(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 130284147
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291953
ethyl (3S)-3-amino-2-fluoro-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanoate
CID 171249044

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 131472336) is 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c([C@H](N)C(C)(C)C)c1O.
What is the InChIKey of 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is LVGBIYUHBDYVBX-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7-10(16)9(8(6-15)5-14-7)11(13)12(2,3)4/h5,11,15-16H,6,13H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 224.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 131472336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).