2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H23N3O4 — CID 83063217

IUPAC2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C14H23N3O4/c1-3-14(12(19)20)7-4-8-17(14)13(21)15-10-5-6-11(18)16(2)9-10/h10H,3-9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyWRJLDSVFXUHCNG-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.65
Rot. Bonds3

About 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83063217) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83063217
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C14H23N3O4/c1-3-14(12(19)20)7-4-8-17(14)13(21)15-10-5-6-11(18)16(2)9-10/h10H,3-9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyWRJLDSVFXUHCNG-UHFFFAOYSA-N
XLogP0.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83063217) is 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WRJLDSVFXUHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-14(12(19)20)7-4-8-17(14)13(21)15-10-5-6-11(18)16(2)9-10/h10H,3-9H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).