2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid

C16H20N2O8 — CID 70100796

IUPAC2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OCc1ccc(OC[C@@H]2CCN2)cn1)C(=O)O
InChIInChI=1S/C16H20N2O8/c19-13(20)5-16(24,15(22)23)6-14(21)26-9-10-1-2-12(7-18-10)25-8-11-3-4-17-11/h1-2,7,11,17,24H,3-6,8-9H2,(H,19,20)(H,22,23)/t11-,16?/m0/s1
InChIKeyPLSWQWMLOBHDLP-CHPOKUKFSA-N
MW368.34 g/mol
LogP-0.45
Rot. Bonds10

About 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid

2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid (PubChem CID 70100796) has the molecular formula C16H20N2O8 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
PubChem CID70100796
Molecular FormulaC16H20N2O8
Molecular Weight368.34 g/mol
Exact Mass368.12
IUPAC Name2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OCc1ccc(OC[C@@H]2CCN2)cn1)C(=O)O
InChIInChI=1S/C16H20N2O8/c19-13(20)5-16(24,15(22)23)6-14(21)26-9-10-1-2-12(7-18-10)25-8-11-3-4-17-11/h1-2,7,11,17,24H,3-6,8-9H2,(H,19,20)(H,22,23)/t11-,16?/m0/s1
InChIKeyPLSWQWMLOBHDLP-CHPOKUKFSA-N
XLogP-0.45
TPSA155.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid with MolForge

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Related Compounds

5-[[(2S)-azetidin-2-yl]methoxy]-2-(fluoromethyl)pyridine
CID 54447351
5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
CID 164526083
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
CID 66630587
5-(azetidin-2-ylmethoxy)-2-methylpyridine-3-carboxamide
CID 23227130
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
[5-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 79787621
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridin-3-amine
CID 54387024
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid?
The IUPAC name of 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid (CID 70100796) is 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid?
The canonical SMILES for 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid is O=C(O)CC(O)(CC(=O)OCc1ccc(OC[C@@H]2CCN2)cn1)C(=O)O.
What is the InChIKey of 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid?
The InChIKey is PLSWQWMLOBHDLP-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H20N2O8/c19-13(20)5-16(24,15(22)23)6-14(21)26-9-10-1-2-12(7-18-10)25-8-11-3-4-17-11/h1-2,7,11,17,24H,3-6,8-9H2,(H,19,20)(H,22,23)/t11-,16?/m0/s1.
What are the key properties of 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid?
2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid has a molecular weight of 368.34 g/mol, XLogP of -0.45, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-[[(2S)-azetidin-2-yl]methoxy]-2-pyridinyl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid is sourced from PubChem (CID 70100796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).