(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one

C9H11NO7 — CID 172842691

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C1C=CC=NC1
InChIInChI=1S/C5H5NO.C4H6O6/c7-5-2-1-3-6-4-5;5-1(3(7)8)2(6)4(9)10/h1-3H,4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyWZWAXUTUJORSLR-LREBCSMRSA-N
MW245.19 g/mol
LogP-1.93
Rot. Bonds3

About (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one

(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one (PubChem CID 172842691) has the molecular formula C9H11NO7 and a molecular weight of 245.19 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one
PubChem CID172842691
Molecular FormulaC9H11NO7
Molecular Weight245.19 g/mol
Exact Mass245.05
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C1C=CC=NC1
InChIInChI=1S/C5H5NO.C4H6O6/c7-5-2-1-3-6-4-5;5-1(3(7)8)2(6)4(9)10/h1-3H,4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyWZWAXUTUJORSLR-LREBCSMRSA-N
XLogP-1.93
TPSA144.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 139195765
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one (CID 172842691) is (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one is O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C1C=CC=NC1.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one?
The InChIKey is WZWAXUTUJORSLR-LREBCSMRSA-N. The full InChI is InChI=1S/C5H5NO.C4H6O6/c7-5-2-1-3-6-4-5;5-1(3(7)8)2(6)4(9)10/h1-3H,4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one?
(2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one has a molecular weight of 245.19 g/mol, XLogP of -1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;2H-pyridin-3-one is sourced from PubChem (CID 172842691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).