3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

C13H20N2O4 — CID 54925654

IUPAC3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1C(=O)CC(N(CCC(=O)O)C2CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-8(2)15-11(16)7-10(13(15)19)14(9-3-4-9)6-5-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyUZYFEQIHIRMJOB-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.46
Rot. Bonds6

About 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (PubChem CID 54925654) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
PubChem CID54925654
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1C(=O)CC(N(CCC(=O)O)C2CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-8(2)15-11(16)7-10(13(15)19)14(9-3-4-9)6-5-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyUZYFEQIHIRMJOB-UHFFFAOYSA-N
XLogP0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.46
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 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (CID 54925654) is 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is CC(C)N1C(=O)CC(N(CCC(=O)O)C2CC2)C1=O.
What is the InChIKey of 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is UZYFEQIHIRMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(2)15-11(16)7-10(13(15)19)14(9-3-4-9)6-5-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 54925654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).