1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 81056899

IUPAC1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOCCN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-17-7-6-12(2)11(16)13-5-4-9(8-13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyJDRUFXUWVZIDJJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.48
Rot. Bonds5

About 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 81056899) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID81056899
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOCCN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-17-7-6-12(2)11(16)13-5-4-9(8-13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyJDRUFXUWVZIDJJ-UHFFFAOYSA-N
XLogP0.48
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031058
1-[2-[2-(dimethylamino)ethoxy]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128644
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
3-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81061705
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 81056899) is 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCOCCN(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JDRUFXUWVZIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-17-7-6-12(2)11(16)13-5-4-9(8-13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).