3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 55165576

IUPAC3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(CCOC)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(16)17)6-7-15(10-13)12(18)14(5-2)8-9-19-3/h4-10H2,1-3H3,(H,16,17)
InChIKeyNRURXILTRHENIY-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds6

About 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 55165576) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID55165576
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(CCOC)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(16)17)6-7-15(10-13)12(18)14(5-2)8-9-19-3/h4-10H2,1-3H3,(H,16,17)
InChIKeyNRURXILTRHENIY-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107400193
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148145
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63148190
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135500

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 55165576) is 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCN(CCOC)C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NRURXILTRHENIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-13(11(16)17)6-7-15(10-13)12(18)14(5-2)8-9-19-3/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).