2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C14H22N2O3 — CID 174226141

IUPAC2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCC(O)C(=O)O.Cc1ncccc1[C@@H]1CCCN1C
InChIInChI=1S/C11H16N2.C3H6O3/c1-9-10(5-3-7-12-9)11-6-4-8-13(11)2;1-2(4)3(5)6/h3,5,7,11H,4,6,8H2,1-2H3;2,4H,1H3,(H,5,6)/t11-;/m0./s1
InChIKeyCMXYGPOMCPDFSL-MERQFXBCSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds2

About 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 174226141) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID174226141
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCC(O)C(=O)O.Cc1ncccc1[C@@H]1CCCN1C
InChIInChI=1S/C11H16N2.C3H6O3/c1-9-10(5-3-7-12-9)11-6-4-8-13(11)2;1-2(4)3(5)6/h3,5,7,11H,4,6,8H2,1-2H3;2,4H,1H3,(H,5,6)/t11-;/m0./s1
InChIKeyCMXYGPOMCPDFSL-MERQFXBCSA-N
XLogP1.61
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 174226141) is 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CC(O)C(=O)O.Cc1ncccc1[C@@H]1CCCN1C.
What is the InChIKey of 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is CMXYGPOMCPDFSL-MERQFXBCSA-N. The full InChI is InChI=1S/C11H16N2.C3H6O3/c1-9-10(5-3-7-12-9)11-6-4-8-13(11)2;1-2(4)3(5)6/h3,5,7,11H,4,6,8H2,1-2H3;2,4H,1H3,(H,5,6)/t11-;/m0./s1.
What are the key properties of 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 266.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 174226141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).