3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione

C12H23N3O4 — CID 58743132

IUPAC3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione
SMILESCCCN(CCNC)CCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C12H23N3O4/c1-3-5-14(6-4-13-2)7-8-15-11(18)9(16)10(17)12(15)19/h9-10,13,16-17H,3-8H2,1-2H3
InChIKeyWCBFBUIMFZOTFO-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.99
Rot. Bonds8

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

3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 58743132) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione
PubChem CID58743132
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione
SMILESCCCN(CCNC)CCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C12H23N3O4/c1-3-5-14(6-4-13-2)7-8-15-11(18)9(16)10(17)12(15)19/h9-10,13,16-17H,3-8H2,1-2H3
InChIKeyWCBFBUIMFZOTFO-UHFFFAOYSA-N
XLogP-1.99
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.99
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 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione (CID 58743132) is 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione is CCCN(CCNC)CCN1C(=O)C(O)C(O)C1=O.
What is the InChIKey of 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is WCBFBUIMFZOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-3-5-14(6-4-13-2)7-8-15-11(18)9(16)10(17)12(15)19/h9-10,13,16-17H,3-8H2,1-2H3.
What are the key properties of 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione?
3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 273.33 g/mol, XLogP of -1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58743132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).