(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione

C10H16N2O3 — CID 98630960

IUPAC(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@H]2CCCCO2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-3-1-2-4-15-7/h7-8,11H,1-6H2,(H,12,13,14)/t7-,8-/m1/s1
InChIKeyDDBNXMXKICNOLY-HTQZYQBOSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds3

About (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione

(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione (PubChem CID 98630960) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione
PubChem CID98630960
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@H]2CCCCO2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-3-1-2-4-15-7/h7-8,11H,1-6H2,(H,12,13,14)/t7-,8-/m1/s1
InChIKeyDDBNXMXKICNOLY-HTQZYQBOSA-N
XLogP-0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61024737
3-(oxan-2-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313250
3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
CID 106133147
1-ethyl-3-(oxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 55014287
5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
CID 130669953
3-[2-(oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-(cyclobutylamino)pyrrolidine-2,5-dione
CID 62416523
(3R)-3-[(1-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
CID 124562286
(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820458
2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione (CID 98630960) is (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione is O=C1C[C@@H](NC[C@H]2CCCCO2)C(=O)N1.
What is the InChIKey of (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is DDBNXMXKICNOLY-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-3-1-2-4-15-7/h7-8,11H,1-6H2,(H,12,13,14)/t7-,8-/m1/s1.
What are the key properties of (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione?
(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 98630960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).