3-(5-hydroxypentylamino)pyrrolidine-2,5-dione

C9H16N2O3 — CID 107317317

IUPAC3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCCCO)C(=O)N1
InChIInChI=1S/C9H16N2O3/c12-5-3-1-2-4-10-7-6-8(13)11-9(7)14/h7,10,12H,1-6H2,(H,11,13,14)
InChIKeyFERBPWLBSVTZKE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.85
Rot. Bonds6

About 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione

3-(5-hydroxypentylamino)pyrrolidine-2,5-dione (PubChem CID 107317317) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
PubChem CID107317317
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCCCO)C(=O)N1
InChIInChI=1S/C9H16N2O3/c12-5-3-1-2-4-10-7-6-8(13)11-9(7)14/h7,10,12H,1-6H2,(H,11,13,14)
InChIKeyFERBPWLBSVTZKE-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione (CID 107317317) is 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione is O=C1CC(NCCCCCO)C(=O)N1.
What is the InChIKey of 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione?
The InChIKey is FERBPWLBSVTZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-5-3-1-2-4-10-7-6-8(13)11-9(7)14/h7,10,12H,1-6H2,(H,11,13,14).
What are the key properties of 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione?
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 107317317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).