(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol

C9H14N2O — CID 130710949

IUPAC(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1cccnc1
InChIInChI=1S/C9H14N2O/c1-2-8(12)9(10)7-4-3-5-11-6-7/h3-6,8-9,12H,2,10H2,1H3/t8-,9+/m1/s1
InChIKeyYTRIKFHBXGEYRU-BDAKNGLRSA-N
MW166.22 g/mol
LogP0.85
Rot. Bonds3

About (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol

(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol (PubChem CID 130710949) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
PubChem CID130710949
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1cccnc1
InChIInChI=1S/C9H14N2O/c1-2-8(12)9(10)7-4-3-5-11-6-7/h3-6,8-9,12H,2,10H2,1H3/t8-,9+/m1/s1
InChIKeyYTRIKFHBXGEYRU-BDAKNGLRSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
2-amino-2-pyridin-3-ylethanol
CID 2734590
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol (CID 130710949) is (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol is CC[C@@H](O)[C@@H](N)c1cccnc1.
What is the InChIKey of (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol?
The InChIKey is YTRIKFHBXGEYRU-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(12)9(10)7-4-3-5-11-6-7/h3-6,8-9,12H,2,10H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol?
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 130710949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).