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

C9H11NO5 — CID 170823762

IUPAC2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ncccc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H11NO5/c1-15-8-5(3-2-4-10-8)6(11)7(12)9(13)14/h2-4,6-7,11-12H,1H3,(H,13,14)
InChIKeyOCIGMRHQQGLATE-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.43
Rot. Bonds4

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

2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid (PubChem CID 170823762) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
PubChem CID170823762
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ncccc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H11NO5/c1-15-8-5(3-2-4-10-8)6(11)7(12)9(13)14/h2-4,6-7,11-12H,1H3,(H,13,14)
InChIKeyOCIGMRHQQGLATE-UHFFFAOYSA-N
XLogP-0.43
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
CID 171895384
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
CID 55295483
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
CID 171893593
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110251
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid (CID 170823762) is 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid is COc1ncccc1C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid?
The InChIKey is OCIGMRHQQGLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-15-8-5(3-2-4-10-8)6(11)7(12)9(13)14/h2-4,6-7,11-12H,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid?
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.43, 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-(2-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 170823762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).