tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate

C11H19N3O3 — CID 162737218

IUPACtert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C=NCC1
InChIInChI=1S/C11H19N3O3/c1-8(9(15)14-6-5-12-7-14)13-10(16)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,16)/t8-/m0/s1
InChIKeyYZADIZPIDSBRTE-QMMMGPOBSA-N
MW241.29 g/mol
LogP0.77
Rot. Bonds2

About tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 162737218) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID162737218
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C=NCC1
InChIInChI=1S/C11H19N3O3/c1-8(9(15)14-6-5-12-7-14)13-10(16)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,16)/t8-/m0/s1
InChIKeyYZADIZPIDSBRTE-QMMMGPOBSA-N
XLogP0.77
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 11601211
tert-butyl N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]carbamate
CID 10934199
tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 24688735
tert-butyl N-[(2R)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 28165777
tert-butyl N-[(2S)-1-[ethyl-[2-(methylamino)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 59973091
(2S)-3-(4,5-dihydroimidazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70899357
tert-butyl N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]carbamate
CID 85321408
tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 87835041
tert-butyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 91151204
Tert-butyl (2-(((dimethylamino)methylene)amino)-2-oxoethyl)carbamate
CID 121308631
tert-butyl N-[(2R)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]carbamate
CID 139347440
tert-butyl N-[1-[ethyl(methyliminomethyl)amino]-3-oxopropan-2-yl]carbamate
CID 139499036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate (CID 162737218) is tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C=NCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is YZADIZPIDSBRTE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(9(15)14-6-5-12-7-14)13-10(16)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(4,5-dihydroimidazol-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 162737218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).