3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid

C11H19NO4 — CID 172548571

IUPAC3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H19NO4/c1-8(2)9(13)12-5-4-11(6-12,7-16-3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyCQTNZKOWDNFATB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.59
Rot. Bonds4

About 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid

3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 172548571) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID172548571
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H19NO4/c1-8(2)9(13)12-5-4-11(6-12,7-16-3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyCQTNZKOWDNFATB-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 129469529
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 122109200
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144412
(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 129469474

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid (CID 172548571) is 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid is COCC1(C(=O)O)CCN(C(=O)C(C)C)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CQTNZKOWDNFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)9(13)12-5-4-11(6-12,7-16-3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 172548571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).