1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid

C11H19NO4 — CID 119256934

IUPAC1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCOC(C)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-4-16-8(2)9(13)12-6-5-11(3,7-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyCCIFMAFKKWAIQS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds4

About 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256934) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256934
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCOC(C)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-4-16-8(2)9(13)12-6-5-11(3,7-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyCCIFMAFKKWAIQS-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(2-ethylhexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146734
(3R)-1-[(2S)-2-(2-bromophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696026
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146995
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119256934) is 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid is CCOC(C)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CCIFMAFKKWAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-16-8(2)9(13)12-6-5-11(3,7-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).