2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid

C10H13NO5 — CID 170824081

IUPAC2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(C)n1
InChIInChI=1S/C10H13NO5/c1-5-6(3-4-7(11-5)16-2)8(12)9(13)10(14)15/h3-4,8-9,12-13H,1-2H3,(H,14,15)
InChIKeyJBZXCWJVDZQLMW-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.12
Rot. Bonds4

About 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid

2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid (PubChem CID 170824081) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
PubChem CID170824081
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(C)n1
InChIInChI=1S/C10H13NO5/c1-5-6(3-4-7(11-5)16-2)8(12)9(13)10(14)15/h3-4,8-9,12-13H,1-2H3,(H,14,15)
InChIKeyJBZXCWJVDZQLMW-UHFFFAOYSA-N
XLogP-0.12
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
CID 171860100
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid
CID 131214154
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
3-amino-3-(6-methoxy-2-methyl-3-pyridinyl)propan-1-ol
CID 55269648
(2,6-dimethoxy-3-pyridinyl)methanediol
CID 134064056
cyclopropyl-(6-methoxy-2-methyl-3-pyridinyl)methanamine
CID 55296471
ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
CID 68630515
2-(2-carboxy-1,2-dihydroxyethyl)-5-methylbenzoic acid
CID 170824270

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid (CID 170824081) is 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid is COc1ccc(C(O)C(O)C(=O)O)c(C)n1.
What is the InChIKey of 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid?
The InChIKey is JBZXCWJVDZQLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-5-6(3-4-7(11-5)16-2)8(12)9(13)10(14)15/h3-4,8-9,12-13H,1-2H3,(H,14,15).
What are the key properties of 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid?
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 170824081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).