methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate

C9H11NO6 — CID 171863827

IUPACmethyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C9H11NO6/c1-16-9(15)7(13)6(12)4-2-5(11)8(14)10-3-4/h2-3,6-7,11-13H,1H3,(H,10,14)
InChIKeyCDUALHBYOMWTOT-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.35
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate

methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 171863827) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
PubChem CID171863827
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Namemethyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C9H11NO6/c1-16-9(15)7(13)6(12)4-2-5(11)8(14)10-3-4/h2-3,6-7,11-13H,1H3,(H,10,14)
InChIKeyCDUALHBYOMWTOT-UHFFFAOYSA-N
XLogP-1.35
TPSA119.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170827810
methyl 3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863832
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872063
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
CID 171864848
methyl 3-(4-chloro-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171863894
methyl 3-(2,6-difluoro-4-pyridinyl)-2,3-dihydroxypropanoate
CID 171865158
methyl 3-(4-amino-3,5-dichlorophenyl)-2,3-dihydroxypropanoate
CID 171864144

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate (CID 171863827) is methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate is COC(=O)C(O)C(O)c1c[nH]c(=O)c(O)c1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is CDUALHBYOMWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c1-16-9(15)7(13)6(12)4-2-5(11)8(14)10-3-4/h2-3,6-7,11-13H,1H3,(H,10,14).
What are the key properties of methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate?
methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 229.19 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 171863827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).