5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid

C15H25N3O4 — CID 50962989

IUPAC5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)CCN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C15H25N3O4/c1-11(2)16-5-7-17(8-6-16)13(19)3-4-18-10-12(15(21)22)9-14(18)20/h11-12H,3-10H2,1-2H3,(H,21,22)
InChIKeyAWLNLWMXMNJDDF-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.14
Rot. Bonds5

About 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid (PubChem CID 50962989) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid
PubChem CID50962989
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)CCN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C15H25N3O4/c1-11(2)16-5-7-17(8-6-16)13(19)3-4-18-10-12(15(21)22)9-14(18)20/h11-12H,3-10H2,1-2H3,(H,21,22)
InChIKeyAWLNLWMXMNJDDF-UHFFFAOYSA-N
XLogP-0.14
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid (CID 50962989) is 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid is CC(C)N1CCN(C(=O)CCN2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AWLNLWMXMNJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-11(2)16-5-7-17(8-6-16)13(19)3-4-18-10-12(15(21)22)9-14(18)20/h11-12H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50962989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).