methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate

C11H15NO5 — CID 171895384

IUPACmethyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
SMILESCOC(=O)CC(O)C(O)c1cccnc1OC
InChIInChI=1S/C11H15NO5/c1-16-9(14)6-8(13)10(15)7-4-3-5-12-11(7)17-2/h3-5,8,10,13,15H,6H2,1-2H3
InChIKeyQHADDOFBMUVILQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.05
Rot. Bonds5

About methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate

methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate (PubChem CID 171895384) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
PubChem CID171895384
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
SMILESCOC(=O)CC(O)C(O)c1cccnc1OC
InChIInChI=1S/C11H15NO5/c1-16-9(14)6-8(13)10(15)7-4-3-5-12-11(7)17-2/h3-5,8,10,13,15H,6H2,1-2H3
InChIKeyQHADDOFBMUVILQ-UHFFFAOYSA-N
XLogP0.05
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate 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

methyl 3,4-dihydroxy-4-(2-nitro-3-pyridinyl)butanoate
CID 171895577
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
CID 171893593
methyl 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanoate
CID 171895095
methyl 4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895718
methyl 3,4-dihydroxy-4-(2-propan-2-yloxyphenyl)butanoate
CID 171895922
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
methyl 3,4-dihydroxy-4-(2-sulfamoylphenyl)butanoate
CID 171896022
3-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-2-methylbenzoic acid
CID 171895900
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
CID 55295483
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate?
The IUPAC name of methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate (CID 171895384) is methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate.
What is the SMILES notation for methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate?
The canonical SMILES for methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate is COC(=O)CC(O)C(O)c1cccnc1OC.
What is the InChIKey of methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate?
The InChIKey is QHADDOFBMUVILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-16-9(14)6-8(13)10(15)7-4-3-5-12-11(7)17-2/h3-5,8,10,13,15H,6H2,1-2H3.
What are the key properties of methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate?
methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate has a molecular weight of 241.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate is sourced from PubChem (CID 171895384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).