methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate

C11H21NO5 — CID 103535263

IUPACmethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1CC(OC)C(OC)C1
InChIInChI=1S/C11H21NO5/c1-11(14,10(13)17-4)7-12-5-8(15-2)9(6-12)16-3/h8-9,14H,5-7H2,1-4H3
InChIKeyXNKQZALTKPNCCR-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.74
Rot. Bonds5

About methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate

methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate (PubChem CID 103535263) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
PubChem CID103535263
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1CC(OC)C(OC)C1
InChIInChI=1S/C11H21NO5/c1-11(14,10(13)17-4)7-12-5-8(15-2)9(6-12)16-3/h8-9,14H,5-7H2,1-4H3
InChIKeyXNKQZALTKPNCCR-UHFFFAOYSA-N
XLogP-0.74
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)pyrrolidin-3-yl)oxy)acetic acid
CID 44607718
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
5-Azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate bromide
CID 20334104
5-Azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate
CID 20334105
5-Azoniaspiro[4.4]nonan-3-yl 2-hydroxy-2-methylpropanoate chloride
CID 20334154
5-Azoniaspiro[4.4]nonan-3-yl 2-hydroxy-2-methylpropanoate
CID 20334155
8-Oxa-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate chloride
CID 20334160
8-Oxa-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate
CID 20334161
3-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylic acid
CID 22289903
(R)-1-Boc-3-carboxymethoxy-pyrrolidine
CID 31164570
(S)-2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)oxy)acetic acid
CID 40429404
Tert-butyl 2-hydroxy-3-pyrrolidin-1-ylpropanoate
CID 57198533

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate (CID 103535263) is methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CN1CC(OC)C(OC)C1.
What is the InChIKey of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate?
The InChIKey is XNKQZALTKPNCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(14,10(13)17-4)7-12-5-8(15-2)9(6-12)16-3/h8-9,14H,5-7H2,1-4H3.
What are the key properties of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate?
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate has a molecular weight of 247.29 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 103535263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).