(3S)-3-(aminomethyl)pyrrolidine-2,5-dione

C5H8N2O2 — CID 28605219

IUPAC(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
SMILESNC[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c6-2-3-1-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
InChIKeyGLEJFOKLZHFGPI-VKHMYHEASA-N
MW128.13 g/mol
LogP-1.39
Rot. Bonds1

About (3S)-3-(aminomethyl)pyrrolidine-2,5-dione

(3S)-3-(aminomethyl)pyrrolidine-2,5-dione (PubChem CID 28605219) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
PubChem CID28605219
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
SMILESNC[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c6-2-3-1-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
InChIKeyGLEJFOKLZHFGPI-VKHMYHEASA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-(3-aminoprop-2-enyl)pyrrolidine-2,5-dione
CID 69036188
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
8-(2,5-dioxopyrrolidin-3-yl)octanal
CID 141287345
3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione
CID 70244670
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
CID 144561873
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
3-(2-ethylhexyl)pyrrolidine-2,5-dione
CID 172620709

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(aminomethyl)pyrrolidine-2,5-dione (CID 28605219) is (3S)-3-(aminomethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(aminomethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(aminomethyl)pyrrolidine-2,5-dione is NC[C@@H]1CC(=O)NC1=O.
What is the InChIKey of (3S)-3-(aminomethyl)pyrrolidine-2,5-dione?
The InChIKey is GLEJFOKLZHFGPI-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O2/c6-2-3-1-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)pyrrolidine-2,5-dione?
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione has a molecular weight of 128.13 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 28605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).