(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C15H22N2O7 — CID 24906253

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCc1ncccc1OC[C@@H]1CCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C11H16N2O.C4H6O6/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10;5-1(3(7)8)2(6)4(9)10/h3,5-6,10,13H,2,4,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1
InChIKeyWOYZAVAGHHPUIK-LDGFUSNJSA-N
MW342.35 g/mol
LogP-0.60
Rot. Bonds6

About (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 24906253) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID24906253
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCc1ncccc1OC[C@@H]1CCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C11H16N2O.C4H6O6/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10;5-1(3(7)8)2(6)4(9)10/h3,5-6,10,13H,2,4,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1
InChIKeyWOYZAVAGHHPUIK-LDGFUSNJSA-N
XLogP-0.60
TPSA149.21 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 24906253) is (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is Cc1ncccc1OC[C@@H]1CCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is WOYZAVAGHHPUIK-LDGFUSNJSA-N. The full InChI is InChI=1S/C11H16N2O.C4H6O6/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10;5-1(3(7)8)2(6)4(9)10/h3,5-6,10,13H,2,4,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 342.35 g/mol, XLogP of -0.60, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 24906253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).