methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate

C10H13NO3 — CID 134591352

IUPACmethyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc(O)cn1
InChIInChI=1S/C10H13NO3/c1-7(10(13)14-2)5-8-3-4-9(12)6-11-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyPRTYGYFKJHGPOL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.14
Rot. Bonds3

About methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate

methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate (PubChem CID 134591352) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
PubChem CID134591352
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc(O)cn1
InChIInChI=1S/C10H13NO3/c1-7(10(13)14-2)5-8-3-4-9(12)6-11-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyPRTYGYFKJHGPOL-UHFFFAOYSA-N
XLogP1.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
CID 59079990
N-[1-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide
CID 70511642
2,5-dimethylpyridine;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-(methylamino)propanoate;methyl (2S)-2-(methylamino)butanoate;bis(methyl (2S)-2-(methylamino)-3-(5-methyl-2-pyridinyl)propanoate)
CID 157251045
methyl (2S)-3-(2-ethyl-4-hydroxyphenyl)-2-methylpropanoate
CID 134580652
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
CID 79739459
methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
CID 82246778
methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate
CID 82250498
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
methyl 2-methyl-3-phenylpropanoate
CID 11105919
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113373335
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate (CID 134591352) is methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate is COC(=O)C(C)Cc1ccc(O)cn1.
What is the InChIKey of methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate?
The InChIKey is PRTYGYFKJHGPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(10(13)14-2)5-8-3-4-9(12)6-11-8/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate?
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate has a molecular weight of 195.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 134591352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).