2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid

C10H17NO6 — CID 103531253

IUPAC2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCOC1CN(C(=O)COCC(=O)O)CC1OC
InChIInChI=1S/C10H17NO6/c1-15-7-3-11(4-8(7)16-2)9(12)5-17-6-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyYQJJROGTWNSCGG-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.04
Rot. Bonds6

About 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 103531253) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID103531253
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCOC1CN(C(=O)COCC(=O)O)CC1OC
InChIInChI=1S/C10H17NO6/c1-15-7-3-11(4-8(7)16-2)9(12)5-17-6-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyYQJJROGTWNSCGG-UHFFFAOYSA-N
XLogP-1.04
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 61328279
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]acetic acid
CID 55004213
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
4-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-oxobutanoic acid
CID 129496570
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethoxy]acetic acid
CID 61328087
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
4-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid (CID 103531253) is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid is COC1CN(C(=O)COCC(=O)O)CC1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is YQJJROGTWNSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-15-7-3-11(4-8(7)16-2)9(12)5-17-6-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 247.25 g/mol, XLogP of -1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 103531253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).