3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione

C8H14N2O5 — CID 59987812

IUPAC3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione
SMILESCNCC(O)CN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C8H14N2O5/c1-9-2-4(11)3-10-7(14)5(12)6(13)8(10)15/h4-6,9,11-13H,2-3H2,1H3
InChIKeyTXVMHHLLVSTMPH-UHFFFAOYSA-N
MW218.21 g/mol
LogP-3.34
Rot. Bonds4

About 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione

3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione (PubChem CID 59987812) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione
PubChem CID59987812
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione
SMILESCNCC(O)CN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C8H14N2O5/c1-9-2-4(11)3-10-7(14)5(12)6(13)8(10)15/h4-6,9,11-13H,2-3H2,1H3
InChIKeyTXVMHHLLVSTMPH-UHFFFAOYSA-N
XLogP-3.34
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-3.34
H-Bond Donors ≤ 54
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 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione (CID 59987812) is 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione is CNCC(O)CN1C(=O)C(O)C(O)C1=O.
What is the InChIKey of 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione?
The InChIKey is TXVMHHLLVSTMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-9-2-4(11)3-10-7(14)5(12)6(13)8(10)15/h4-6,9,11-13H,2-3H2,1H3.
What are the key properties of 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione?
3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione has a molecular weight of 218.21 g/mol, XLogP of -3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-[2-hydroxy-3-(methylamino)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 59987812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).