tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C17H31N3O5 — CID 162406394

IUPACtert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)N[C@H](CN1C(=O)CNC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O5/c1-15(2,3)24-13(22)11(19-14(23)25-16(4,5)6)10-20-12(21)9-18-17(20,7)8/h11,18H,9-10H2,1-8H3,(H,19,23)/t11-/m1/s1
InChIKeyLXOKMYAQQFLBBU-LLVKDONJSA-N
MW357.45 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 162406394) has the molecular formula C17H31N3O5 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID162406394
Molecular FormulaC17H31N3O5
Molecular Weight357.45 g/mol
Exact Mass357.23
IUPAC Nametert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)N[C@H](CN1C(=O)CNC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O5/c1-15(2,3)24-13(22)11(19-14(23)25-16(4,5)6)10-20-12(21)9-18-17(20,7)8/h11,18H,9-10H2,1-8H3,(H,19,23)/t11-/m1/s1
InChIKeyLXOKMYAQQFLBBU-LLVKDONJSA-N
XLogP1.39
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 13053976
Tert-butyl 2-oxoimidazolidine-4-carboxylate
CID 69230535
1,4-Di-tert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
CID 122155788
2-[(t-Butoxycarbonyl)amino]-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
CID 171919159
t-Butyl 3-[(2-amino-2-oxoethyl)(ethoxycarbonyl)-amino]-2-[(t-butoxycarbonyl)amino]propanoate
CID 171919232
methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)propanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate
CID 67522561
tert-butyl (4S)-1-methyl-2-oxo-3-[(2S)-2-(prop-2-enylamino)propanoyl]imidazolidine-4-carboxylate
CID 134917741
tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135036918
tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135037030
tert-butyl (2R)-3-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162407315
tert-butyl (2S)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 166441383
tert-butyl (4S)-1-(2,2-difluoroethyl)-2-oxoimidazolidine-4-carboxylate
CID 168024310

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 162406394) is tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)N[C@H](CN1C(=O)CNC1(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is LXOKMYAQQFLBBU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H31N3O5/c1-15(2,3)24-13(22)11(19-14(23)25-16(4,5)6)10-20-12(21)9-18-17(20,7)8/h11,18H,9-10H2,1-8H3,(H,19,23)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 357.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 162406394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).