5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid

C16H20N2O4 — CID 747970

IUPAC5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O4/c19-14(8-5-9-15(20)21)17-13-7-2-1-6-12(13)16(22)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11H2,(H,17,19)(H,20,21)
InChIKeySDVUTHXUDAJMCU-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.12
Rot. Bonds6

About 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid

5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid (PubChem CID 747970) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid
PubChem CID747970
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O4/c19-14(8-5-9-15(20)21)17-13-7-2-1-6-12(13)16(22)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11H2,(H,17,19)(H,20,21)
InChIKeySDVUTHXUDAJMCU-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid (CID 747970) is 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid?
The InChIKey is SDVUTHXUDAJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(8-5-9-15(20)21)17-13-7-2-1-6-12(13)16(22)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11H2,(H,17,19)(H,20,21).
What are the key properties of 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid?
5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-(pyrrolidine-1-carbonyl)anilino]pentanoic acid is sourced from PubChem (CID 747970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).