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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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).