tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate

C11H19N3O4 — CID 59710474

IUPACtert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C11H19N3O4/c1-6(12-9(17)18-10(2,3)4)11(5)7(15)13-8(16)14-11/h6H,1-5H3,(H,12,17)(H2,13,14,15,16)/t6-,11+/m1/s1
InChIKeyVVDWDKYEMKRUOU-KBUNVGBDSA-N
MW257.29 g/mol
LogP0.50
Rot. Bonds2

About tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate (PubChem CID 59710474) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate
PubChem CID59710474
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nametert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C11H19N3O4/c1-6(12-9(17)18-10(2,3)4)11(5)7(15)13-8(16)14-11/h6H,1-5H3,(H,12,17)(H2,13,14,15,16)/t6-,11+/m1/s1
InChIKeyVVDWDKYEMKRUOU-KBUNVGBDSA-N
XLogP0.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate (CID 59710474) is tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)NC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate?
The InChIKey is VVDWDKYEMKRUOU-KBUNVGBDSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(12-9(17)18-10(2,3)4)11(5)7(15)13-8(16)14-11/h6H,1-5H3,(H,12,17)(H2,13,14,15,16)/t6-,11+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 59710474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).