methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate

C9H12N2O3 — CID 55276746

IUPACmethyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(O)cn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)4-7(10)8-3-2-6(12)5-11-8/h2-3,5,7,12H,4,10H2,1H3/t7-/m1/s1
InChIKeyINSVLYGMWDTKNQ-SSDOTTSWSA-N
MW196.21 g/mol
LogP0.35
Rot. Bonds3

About methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate

methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate (PubChem CID 55276746) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
PubChem CID55276746
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(O)cn1
InChIInChI=1S/C9H12N2O3/c1-14-9(13)4-7(10)8-3-2-6(12)5-11-8/h2-3,5,7,12H,4,10H2,1H3/t7-/m1/s1
InChIKeyINSVLYGMWDTKNQ-SSDOTTSWSA-N
XLogP0.35
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55293682
6-[(1R)-1-aminopropyl]pyridin-3-ol
CID 55276418
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
CID 55274421
6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
CID 130715071
methyl (3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 171239593
methyl (3R)-3-amino-3-(2,4-dihydroxyphenyl)propanoate;hydrochloride
CID 171246307
methyl (3S)-3-amino-3-(6-bromo-3-pyridinyl)propanoate
CID 165494395
methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171895049
methyl 3-amino-3-pyrimidin-5-ylpropanoate
CID 162342005
methyl (3S)-3-amino-3-(6-bromoquinolin-2-yl)propanoate
CID 165347669
methyl (3R)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 171245774

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate (CID 55276746) is methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate is COC(=O)C[C@@H](N)c1ccc(O)cn1.
What is the InChIKey of methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate?
The InChIKey is INSVLYGMWDTKNQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9(13)4-7(10)8-3-2-6(12)5-11-8/h2-3,5,7,12H,4,10H2,1H3/t7-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate?
methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate is sourced from PubChem (CID 55276746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).