tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate

C19H30N2O9 — CID 25179240

IUPACtert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@H]([C@H]1COC(C)(C)O1)[C@H]1NC(=O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O9/c1-17(2,3)29-15(24)21-13(22)11(20-14(21)23)12(10-9-26-19(7,8)28-10)27-16(25)30-18(4,5)6/h10-12H,9H2,1-8H3,(H,20,23)/t10-,11-,12-/m1/s1
InChIKeyRDVGIMNWSBYAEP-IJLUTSLNSA-N
MW430.45 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate

tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate (PubChem CID 25179240) has the molecular formula C19H30N2O9 and a molecular weight of 430.45 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate
PubChem CID25179240
Molecular FormulaC19H30N2O9
Molecular Weight430.45 g/mol
Exact Mass430.20
IUPAC Nametert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@H]([C@H]1COC(C)(C)O1)[C@H]1NC(=O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O9/c1-17(2,3)29-15(24)21-13(22)11(20-14(21)23)12(10-9-26-19(7,8)28-10)27-16(25)30-18(4,5)6/h10-12H,9H2,1-8H3,(H,20,23)/t10-,11-,12-/m1/s1
InChIKeyRDVGIMNWSBYAEP-IJLUTSLNSA-N
XLogP2.31
TPSA129.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,5R)-3-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11562636
tert-butyl (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 10828987
tert-butyl (4Z)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,5-dioxoimidazolidine-1-carboxylate
CID 102027240
(3R,5S)-1-acetyl-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 11714230
tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
CID 11260368
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 11624065
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
tert-butyl (2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)-4-oxoazetidine-1-carboxylate
CID 10044010
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
tert-butyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpent-4-enoate
CID 90334062

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate (CID 25179240) is tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate is CC(C)(C)OC(=O)O[C@H]([C@H]1COC(C)(C)O1)[C@H]1NC(=O)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The InChIKey is RDVGIMNWSBYAEP-IJLUTSLNSA-N. The full InChI is InChI=1S/C19H30N2O9/c1-17(2,3)29-15(24)21-13(22)11(20-14(21)23)12(10-9-26-19(7,8)28-10)27-16(25)30-18(4,5)6/h10-12H,9H2,1-8H3,(H,20,23)/t10-,11-,12-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate?
tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate has a molecular weight of 430.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]-2,5-dioxoimidazolidine-1-carboxylate is sourced from PubChem (CID 25179240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).