(3S)-3-aminopyrrolidine-2,5-dione

C4H6N2O2 — CID 13373305

IUPAC(3S)-3-aminopyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)NC1=O
InChIInChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1
InChIKeyYDNMHDRXNOHCJH-REOHCLBHSA-N
MW114.10 g/mol
LogP-1.64
Rot. Bonds

About (3S)-3-aminopyrrolidine-2,5-dione

(3S)-3-aminopyrrolidine-2,5-dione (PubChem CID 13373305) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is (3S)-3-aminopyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-aminopyrrolidine-2,5-dione
PubChem CID13373305
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name(3S)-3-aminopyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)NC1=O
InChIInChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1
InChIKeyYDNMHDRXNOHCJH-REOHCLBHSA-N
XLogP-1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.64
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

(3S)-3-aminopyrrolidin-2-one
CID 12430456
4-Aminopyrrolidin-2-one
CID 13195064
Aspartimide
CID 188987
(3R)-3-Aminopyrrolidin-2-one
CID 21969418
3-Aminopyrrolidin-2-one
CID 10486805
3-(Dimethylamino)pyrrolidine-2,5-dione
CID 12550570
3-(Methylamino)-2,5-pyrrolidinedione
CID 12695971
3-Aminopyrrolidine-2,5-dione hydrochloride
CID 20038693
(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanamide
CID 11229192
3-Amino-4-oxo-4-pyrrolidin-1-yl-butyramide
CID 9855673
(S)-4-aminopyrrolidin-2-one
CID 27369170
2,5-Pyrrolidinedione, 3-acetylamino-
CID 21399364

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-aminopyrrolidine-2,5-dione (CID 13373305) is (3S)-3-aminopyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-aminopyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-aminopyrrolidine-2,5-dione is N[C@H]1CC(=O)NC1=O.
What is the InChIKey of (3S)-3-aminopyrrolidine-2,5-dione?
The InChIKey is YDNMHDRXNOHCJH-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1.
What are the key properties of (3S)-3-aminopyrrolidine-2,5-dione?
(3S)-3-aminopyrrolidine-2,5-dione has a molecular weight of 114.10 g/mol, XLogP of -1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopyrrolidine-2,5-dione is sourced from PubChem (CID 13373305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).