(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione

C10H16N2O4 — CID 70321827

IUPAC(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione
SMILESC=C(N[C@H]1CC(=O)N(O)C1=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O4/c1-6(16-10(2,3)4)11-7-5-8(13)12(15)9(7)14/h7,11,15H,1,5H2,2-4H3/t7-/m0/s1
InChIKeyRGJJBRFNBMWHPK-ZETCQYMHSA-N
MW228.25 g/mol
LogP0.38
Rot. Bonds3

About (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione

(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione (PubChem CID 70321827) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione
PubChem CID70321827
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione
SMILESC=C(N[C@H]1CC(=O)N(O)C1=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O4/c1-6(16-10(2,3)4)11-7-5-8(13)12(15)9(7)14/h7,11,15H,1,5H2,2-4H3/t7-/m0/s1
InChIKeyRGJJBRFNBMWHPK-ZETCQYMHSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide
CID 177028638
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67329959
tert-butyl N-[2-[[2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 68993020
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
CID 139300005
tert-butyl 1-methyl-2,5-dioxopyrrolidine-3-carboxylate
CID 46183778
tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
CID 11117423
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234

Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione (CID 70321827) is (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione is C=C(N[C@H]1CC(=O)N(O)C1=O)OC(C)(C)C.
What is the InChIKey of (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione?
The InChIKey is RGJJBRFNBMWHPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(16-10(2,3)4)11-7-5-8(13)12(15)9(7)14/h7,11,15H,1,5H2,2-4H3/t7-/m0/s1.
What are the key properties of (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione?
(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 70321827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).