2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid

C15H26N2O4 — CID 63066080

IUPAC2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(N(CC(=O)O)CC(C)C)C1=O
InChIInChI=1S/C15H26N2O4/c1-5-11(6-2)17-13(18)7-12(15(17)21)16(8-10(3)4)9-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20)
InChIKeyZNXCZUKIXKSMNB-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.35
Rot. Bonds8

About 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63066080) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID63066080
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(N(CC(=O)O)CC(C)C)C1=O
InChIInChI=1S/C15H26N2O4/c1-5-11(6-2)17-13(18)7-12(15(17)21)16(8-10(3)4)9-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20)
InChIKeyZNXCZUKIXKSMNB-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid (CID 63066080) is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid is CCC(CC)N1C(=O)CC(N(CC(=O)O)CC(C)C)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZNXCZUKIXKSMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-11(6-2)17-13(18)7-12(15(17)21)16(8-10(3)4)9-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid?
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).