2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid

C11H19NO4 — CID 83227952

IUPAC2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCCC1CCC(C)N1C(=O)COCC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-9-5-4-8(2)12(9)10(13)6-16-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyHYUYKDIKBDFMTN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 83227952) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID83227952
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCCC1CCC(C)N1C(=O)COCC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-9-5-4-8(2)12(9)10(13)6-16-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyHYUYKDIKBDFMTN-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-1-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83218230
tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 106707669
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 83220540
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 83137794
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone
CID 129269390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid (CID 83227952) is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid is CCC1CCC(C)N1C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is HYUYKDIKBDFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-9-5-4-8(2)12(9)10(13)6-16-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 83227952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).