(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate

C7H10N2O5 — CID 67680961

IUPAC(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1C(=O)NC(=O)C1N
InChIInChI=1S/C7H10N2O5/c1-2(10)7(13)14-4-3(8)5(11)9-6(4)12/h2-4,10H,8H2,1H3,(H,9,11,12)
InChIKeyIQSXMXXGOQNXLS-UHFFFAOYSA-N
MW202.17 g/mol
LogP-2.74
Rot. Bonds2

About (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate

(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate (PubChem CID 67680961) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate
PubChem CID67680961
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1C(=O)NC(=O)C1N
InChIInChI=1S/C7H10N2O5/c1-2(10)7(13)14-4-3(8)5(11)9-6(4)12/h2-4,10H,8H2,1H3,(H,9,11,12)
InChIKeyIQSXMXXGOQNXLS-UHFFFAOYSA-N
XLogP-2.74
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate?
The IUPAC name of (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate (CID 67680961) is (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate.
What is the SMILES notation for (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate?
The canonical SMILES for (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate is CC(O)C(=O)OC1C(=O)NC(=O)C1N.
What is the InChIKey of (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate?
The InChIKey is IQSXMXXGOQNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-2(10)7(13)14-4-3(8)5(11)9-6(4)12/h2-4,10H,8H2,1H3,(H,9,11,12).
What are the key properties of (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate?
(4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate has a molecular weight of 202.17 g/mol, XLogP of -2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate is sourced from PubChem (CID 67680961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).