3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C13H22N2O4 — CID 62826701

IUPAC3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCN1CC(C(=O)N(CC)C(C)CC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-14-8-10(7-11(14)16)13(19)15(5-2)9(3)6-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZXXSEGVLUIOPFX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.57
Rot. Bonds6

About 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 62826701) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID62826701
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCN1CC(C(=O)N(CC)C(C)CC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-4-14-8-10(7-11(14)16)13(19)15(5-2)9(3)6-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZXXSEGVLUIOPFX-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 62826701) is 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CCN1CC(C(=O)N(CC)C(C)CC(=O)O)CC1=O.
What is the InChIKey of 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is ZXXSEGVLUIOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-14-8-10(7-11(14)16)13(19)15(5-2)9(3)6-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.57, 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-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62826701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).