2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 83063850

IUPAC2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8-16(10-11(18)15-3)13(21)17-9-6-7-14(17,5-2)12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYWJXWQZXAACVPO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.89
Rot. Bonds6

About 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83063850) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83063850
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8-16(10-11(18)15-3)13(21)17-9-6-7-14(17,5-2)12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYWJXWQZXAACVPO-UHFFFAOYSA-N
XLogP0.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096447
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 83063850) is 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid is CCCN(CC(=O)NC)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YWJXWQZXAACVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-8-16(10-11(18)15-3)13(21)17-9-6-7-14(17,5-2)12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).