1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione

C9H16N2O3 — CID 170590172

IUPAC1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCN1C(=O)CC(O)C1=O
InChIInChI=1S/C9H16N2O3/c10-4-2-1-3-5-11-8(13)6-7(12)9(11)14/h7,12H,1-6,10H2
InChIKeyYDECMPQGNQLCCV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.76
Rot. Bonds5

About 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione

1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione (PubChem CID 170590172) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione
PubChem CID170590172
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCN1C(=O)CC(O)C1=O
InChIInChI=1S/C9H16N2O3/c10-4-2-1-3-5-11-8(13)6-7(12)9(11)14/h7,12H,1-6,10H2
InChIKeyYDECMPQGNQLCCV-UHFFFAOYSA-N
XLogP-0.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
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 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione (CID 170590172) is 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione is NCCCCCN1C(=O)CC(O)C1=O.
What is the InChIKey of 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is YDECMPQGNQLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-4-2-1-3-5-11-8(13)6-7(12)9(11)14/h7,12H,1-6,10H2.
What are the key properties of 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione?
1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 170590172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).