(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid

C8H10N2O5 — CID 96905556

IUPAC(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C[C@H](C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H10N2O5/c9-5(11)3-4(8(14)15)10-6(12)1-2-7(10)13/h4H,1-3H2,(H2,9,11)(H,14,15)/t4-/m1/s1
InChIKeyPSWUURNKXJMWGY-SCSAIBSYSA-N
MW214.18 g/mol
LogP-1.54
Rot. Bonds4

About (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid

(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid (PubChem CID 96905556) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
PubChem CID96905556
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C[C@H](C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H10N2O5/c9-5(11)3-4(8(14)15)10-6(12)1-2-7(10)13/h4H,1-3H2,(H2,9,11)(H,14,15)/t4-/m1/s1
InChIKeyPSWUURNKXJMWGY-SCSAIBSYSA-N
XLogP-1.54
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.54
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 (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid (CID 96905556) is (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid is NC(=O)C[C@H](C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid?
The InChIKey is PSWUURNKXJMWGY-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10N2O5/c9-5(11)3-4(8(14)15)10-6(12)1-2-7(10)13/h4H,1-3H2,(H2,9,11)(H,14,15)/t4-/m1/s1.
What are the key properties of (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid?
(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 96905556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).