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

C7H10N2O5 — CID 67680960

IUPAC(2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C7H10N2O5/c8-2-3(10)7(13)14-4-1-5(11)9-6(4)12/h3-4,10H,1-2,8H2,(H,9,11,12)
InChIKeyBOBZIHMNEQGHJT-UHFFFAOYSA-N
MW202.17 g/mol
LogP-2.74
Rot. Bonds3

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

(2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate (PubChem CID 67680960) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate
PubChem CID67680960
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C7H10N2O5/c8-2-3(10)7(13)14-4-1-5(11)9-6(4)12/h3-4,10H,1-2,8H2,(H,9,11,12)
InChIKeyBOBZIHMNEQGHJT-UHFFFAOYSA-N
XLogP-2.74
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
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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Related Compounds

4-Carboxymethoxypyrrolidone
CID 134821209
(4-Amino-2,5-dioxopyrrolidin-3-yl) 2-hydroxypropanoate
CID 67680961
(2,5-Dioxopyrrolidin-3-yl) 2-hydroxyacetate
CID 68795454
(2,5-Dioxopyrrolidin-3-yl) 3-amino-3-oxopropanoate
CID 140336925
2-(2-Oxopyrrolidin-3-yl)oxyacetic acid
CID 164522787
2-Aminoacetic acid;3-hydroxypyrrolidine-2,5-dione
CID 174963332
[(3S)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate
CID 95048806
[(3R)-2,5-dioxopyrrolidin-3-yl] 4-aminobutanoate
CID 98117077
[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate
CID 126987704
(5-Oxopyrrolidin-3-yl) 2-hydroxyacetate
CID 126994845
(5-oxopyrrolidin-3-yl) (2R)-2-hydroxypropanoate
CID 130614823
[(3S)-2-oxopyrrolidin-3-yl] 2-hydroxypropanoate
CID 130739963

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate (CID 67680960) is (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate is NCC(O)C(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate?
The InChIKey is BOBZIHMNEQGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c8-2-3(10)7(13)14-4-1-5(11)9-6(4)12/h3-4,10H,1-2,8H2,(H,9,11,12).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate?
(2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate has a molecular weight of 202.17 g/mol, XLogP of -2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 67680960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).