2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid

C10H16N2O4 — CID 79269635

IUPAC2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)12(5-8(14)15)6-4-7(13)11-9(6)16/h6H,4-5H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyPFUNMDWTURXSRN-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds3

About 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid

2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid (PubChem CID 79269635) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid
PubChem CID79269635
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)12(5-8(14)15)6-4-7(13)11-9(6)16/h6H,4-5H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyPFUNMDWTURXSRN-UHFFFAOYSA-N
XLogP-0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
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-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid (CID 79269635) is 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C1CC(=O)NC1=O.
What is the InChIKey of 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The InChIKey is PFUNMDWTURXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,3)12(5-8(14)15)6-4-7(13)11-9(6)16/h6H,4-5H2,1-3H3,(H,14,15)(H,11,13,16).
What are the key properties of 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 79269635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).