carbamic acid;3-hydroxypyrrolidine-2,5-dione

C5H8N2O5 — CID 67532749

IUPACcarbamic acid;3-hydroxypyrrolidine-2,5-dione
SMILESNC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.CH3NO2/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);2H2,(H,3,4)
InChIKeyURVUAAFKAABMIX-UHFFFAOYSA-N
MW176.13 g/mol
LogP-1.98
Rot. Bonds

About carbamic acid;3-hydroxypyrrolidine-2,5-dione

carbamic acid;3-hydroxypyrrolidine-2,5-dione (PubChem CID 67532749) has the molecular formula C5H8N2O5 and a molecular weight of 176.13 g/mol. Its IUPAC name is carbamic acid;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Namecarbamic acid;3-hydroxypyrrolidine-2,5-dione
PubChem CID67532749
Molecular FormulaC5H8N2O5
Molecular Weight176.13 g/mol
Exact Mass176.04
IUPAC Namecarbamic acid;3-hydroxypyrrolidine-2,5-dione
SMILESNC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.CH3NO2/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);2H2,(H,3,4)
InChIKeyURVUAAFKAABMIX-UHFFFAOYSA-N
XLogP-1.98
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
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 carbamic acid;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of carbamic acid;3-hydroxypyrrolidine-2,5-dione (CID 67532749) is carbamic acid;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for carbamic acid;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for carbamic acid;3-hydroxypyrrolidine-2,5-dione is NC(=O)O.O=C1CC(O)C(=O)N1.
What is the InChIKey of carbamic acid;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is URVUAAFKAABMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.CH3NO2/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);2H2,(H,3,4).
What are the key properties of carbamic acid;3-hydroxypyrrolidine-2,5-dione?
carbamic acid;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 176.13 g/mol, XLogP of -1.98, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 67532749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).