tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate

C11H19N3O2 — CID 130852205

IUPACtert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-8(5-9-6-12-7-13-9)14-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyZLLRLIJYZVIJPZ-MRVPVSSYSA-N
MW225.29 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate (PubChem CID 130852205) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
PubChem CID130852205
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-8(5-9-6-12-7-13-9)14-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyZLLRLIJYZVIJPZ-MRVPVSSYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
methyl 3-(1H-imidazol-5-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 118896971
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 91978535
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 94864160
tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate
CID 131712290
tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 101482073
2-[[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoic acid
CID 78480744
7-hydroxyoctan-3-yl 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90261738
2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide
CID 20775187
methyl 6-[2-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]hydrazinyl]-6-oxohexanoate
CID 6711121
(2S)-3-(1H-imidazol-5-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 90892111
tert-butyl N-[(2S)-3-(1H-imidazol-5-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 156554407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate (CID 130852205) is tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate is C[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate?
The InChIKey is ZLLRLIJYZVIJPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(5-9-6-12-7-13-9)14-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 130852205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).