tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate

C15H27N3O5 — CID 90821830

IUPACtert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
SMILESC[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C15H27N3O5/c1-8(22-14(2,3)4)9(10-11(19)18-12(20)16-10)17-13(21)23-15(5,6)7/h8-9,19H,1-7H3,(H,17,21)(H2,16,18,20)/t8-,9+/m1/s1
InChIKeyVXKKNRZVHVDOPP-BDAKNGLRSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate

tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate (PubChem CID 90821830) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
PubChem CID90821830
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
SMILESC[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C15H27N3O5/c1-8(22-14(2,3)4)9(10-11(19)18-12(20)16-10)17-13(21)23-15(5,6)7/h8-9,19H,1-7H3,(H,17,21)(H2,16,18,20)/t8-,9+/m1/s1
InChIKeyVXKKNRZVHVDOPP-BDAKNGLRSA-N
XLogP2.18
TPSA116.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 173092430
tert-butyl N-[(2S,3R)-1-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 139886086
tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
CID 58783549
2-[4-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetic acid
CID 18393868
chloromethyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 165453689
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(1R,2S)-1,2-bis(4-chlorophenyl)-2-(methylamino)ethyl]carbamate
CID 139315043
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[2-acetyl-1-(4-fluorophenyl)-3-oxobutyl]carbamate
CID 58900587
tert-butyl N-[(3S,4R)-1-imino-4-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]carbamate
CID 146780831
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate (CID 90821830) is tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate is C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)c1[nH]c(=O)[nH]c1O.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate?
The InChIKey is VXKKNRZVHVDOPP-BDAKNGLRSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-8(22-14(2,3)4)9(10-11(19)18-12(20)16-10)17-13(21)23-15(5,6)7/h8-9,19H,1-7H3,(H,17,21)(H2,16,18,20)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate?
tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate is sourced from PubChem (CID 90821830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).