3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione

C10H18N2O3 — CID 22995083

IUPAC3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C10H18N2O3/c11-6-4-2-1-3-5-8-7-9(13)12(15)10(8)14/h8,15H,1-7,11H2
InChIKeyFSYKCPZIEFVDAP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.66
Rot. Bonds6

About 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione

3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione (PubChem CID 22995083) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione
PubChem CID22995083
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione
SMILESNCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C10H18N2O3/c11-6-4-2-1-3-5-8-7-9(13)12(15)10(8)14/h8,15H,1-7,11H2
InChIKeyFSYKCPZIEFVDAP-UHFFFAOYSA-N
XLogP0.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Aminohexanoyl)-1-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidin-1-ium-2,5-dione
CID 87330624
3-(6-Aminohexyl)pyrrolidine-2,5-dione
CID 18008340
3-(6-Aminohexanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 18186104
3-Dodecyl-1-hydroxypyrrolidine-2,5-dione
CID 19790039
N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 22666948
(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
(2R)-N-butyl-N'-hydroxy-2-pentylbutanediamide
CID 60055920
3-(6-Aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 66916721
1-Hydroxy-3-pentylpyrrolidine-2,5-dione
CID 67151025
3-Octylpyrrolidine-2,5-dione;propan-1-amine
CID 69825321
4-(4-Aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 70472501
3-(4-Aminobutyl)pyrrolidine-2,5-dione
CID 70505523

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione (CID 22995083) is 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione is NCCCCCCC1CC(=O)N(O)C1=O.
What is the InChIKey of 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is FSYKCPZIEFVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-6-4-2-1-3-5-8-7-9(13)12(15)10(8)14/h8,15H,1-7,11H2.
What are the key properties of 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione?
3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminohexyl)-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 22995083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).