(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione

C9H13N3O3 — CID 94349911

IUPAC(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N[C@H]2CCCNC2=O)C(=O)N1
InChIInChI=1S/C9H13N3O3/c13-7-4-6(9(15)12-7)11-5-2-1-3-10-8(5)14/h5-6,11H,1-4H2,(H,10,14)(H,12,13,15)/t5-,6+/m0/s1
InChIKeyYVCWIAIUQQJRFU-NTSWFWBYSA-N
MW211.22 g/mol
LogP-1.73
Rot. Bonds2

About (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione

(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione (PubChem CID 94349911) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
PubChem CID94349911
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N[C@H]2CCCNC2=O)C(=O)N1
InChIInChI=1S/C9H13N3O3/c13-7-4-6(9(15)12-7)11-5-2-1-3-10-8(5)14/h5-6,11H,1-4H2,(H,10,14)(H,12,13,15)/t5-,6+/m0/s1
InChIKeyYVCWIAIUQQJRFU-NTSWFWBYSA-N
XLogP-1.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(cyclobutylamino)pyrrolidine-2,5-dione
CID 62416523
3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
3-(spiro[3.5]nonan-3-ylamino)piperidin-2-one
CID 102951791
1-cyclohexyl-3-[(2-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 62093415
3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 62093934
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-(3-bicyclo[3.1.0]hexanylamino)pyrrolidine-2,5-dione
CID 130899178
N-(2-oxopiperidin-3-yl)formamide
CID 64992680
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
CID 62092650
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione (CID 94349911) is (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione is O=C1C[C@@H](N[C@H]2CCCNC2=O)C(=O)N1.
What is the InChIKey of (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is YVCWIAIUQQJRFU-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-7-4-6(9(15)12-7)11-5-2-1-3-10-8(5)14/h5-6,11H,1-4H2,(H,10,14)(H,12,13,15)/t5-,6+/m0/s1.
What are the key properties of (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione?
(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 94349911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).