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

C12H18N2O2 — CID 171207906

IUPAC4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c([C@H](N)CC2CC2)c1O
InChIInChI=1S/C12H18N2O2/c1-7-12(16)11(9(6-15)5-14-7)10(13)4-8-2-3-8/h5,8,10,15-16H,2-4,6,13H2,1H3/t10-/m1/s1
InChIKeyYGIRMMLGGXFNSL-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds4

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

4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 171207906) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID171207906
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c([C@H](N)CC2CC2)c1O
InChIInChI=1S/C12H18N2O2/c1-7-12(16)11(9(6-15)5-14-7)10(13)4-8-2-3-8/h5,8,10,15-16H,2-4,6,13H2,1H3/t10-/m1/s1
InChIKeyYGIRMMLGGXFNSL-SNVBAGLBSA-N
XLogP1.39
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1,2-diaminoethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131104221
4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207938
4-[(1S)-1-amino-3-fluoropropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171227493
(3R)-3-amino-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanenitrile;hydrochloride
CID 171260495
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131472336
4-[amino(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 143542315
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171242306
5-(hydroxymethyl)-4-[hydroxy(sulfanyl)methyl]-2-methylpyridin-3-ol
CID 57165678
4-[hydroxy(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 130284147
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291937
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-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 171207906) is 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c([C@H](N)CC2CC2)c1O.
What is the InChIKey of 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is YGIRMMLGGXFNSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-12(16)11(9(6-15)5-14-7)10(13)4-8-2-3-8/h5,8,10,15-16H,2-4,6,13H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.39, 4 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-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 171207906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).