1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid

C10H19NO3 — CID 117017264

IUPAC1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCOCCN1CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)8(9(12)13)4-5-11(10)6-7-14-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGQGUNAPYJAFEMN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 117017264) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
PubChem CID117017264
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCOCCN1CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)8(9(12)13)4-5-11(10)6-7-14-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGQGUNAPYJAFEMN-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
[1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017703
1-(2-methoxyethyl)-6,6-dimethylpiperidine-3-carboxylic acid
CID 117021222
1-(2-methoxyethyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019270
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022946
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017613
1-(3-methoxypropyl)-2,2-dimethylpiperidin-3-ol
CID 117019027
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid (CID 117017264) is 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid is COCCN1CCC(C(=O)O)C1(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is GQGUNAPYJAFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)8(9(12)13)4-5-11(10)6-7-14-3/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117017264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).