azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid

C8H14N2O5 — CID 172855490

IUPACazane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.N.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.C4H6O2.H3N/c6-2-1-3(7)5-4(2)8;1-3(2)4(5)6;/h2,6H,1H2,(H,5,7,8);1H2,2H3,(H,5,6);1H3
InChIKeyIEXJICOYXVFMJZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.80
Rot. Bonds1

About azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid

azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid (PubChem CID 172855490) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameazane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
PubChem CID172855490
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Nameazane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.N.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.C4H6O2.H3N/c6-2-1-3(7)5-4(2)8;1-3(2)4(5)6;/h2,6H,1H2,(H,5,7,8);1H2,2H3,(H,5,6);1H3
InChIKeyIEXJICOYXVFMJZ-UHFFFAOYSA-N
XLogP-0.80
TPSA138.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
CID 66653042
CID 66653042
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
CID 118323110
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 162174000
2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
CID 69307540
2-methylprop-2-enoic acid;2-sulfanylidene-1,3-diazinane-4,6-dione
CID 88695554
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
(2R)-2-(2,2-dimethylpropanoylamino)-3-sulfanylpropanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 87404636
N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide
CID 139708483

Frequently Asked Questions

What is the IUPAC name of azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid?
The IUPAC name of azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid (CID 172855490) is azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid.
What is the SMILES notation for azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid?
The canonical SMILES for azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid is C=C(C)C(=O)O.N.O=C1CC(O)C(=O)N1.
What is the InChIKey of azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid?
The InChIKey is IEXJICOYXVFMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C4H6O2.H3N/c6-2-1-3(7)5-4(2)8;1-3(2)4(5)6;/h2,6H,1H2,(H,5,7,8);1H2,2H3,(H,5,6);1H3.
What are the key properties of azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid?
azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid is sourced from PubChem (CID 172855490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).