tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate

C16H27N3O2 — CID 114986351

IUPACtert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(Cn1cncc1[C@@H](C)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H27N3O2/c1-11(13-6-7-13)9-19-10-17-8-14(19)12(2)18-15(20)21-16(3,4)5/h8,10-13H,6-7,9H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyBZYPGZUKVXWHPV-PIJUOVFKSA-N
MW293.41 g/mol
LogP3.51
Rot. Bonds5

About tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 114986351) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
PubChem CID114986351
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(Cn1cncc1[C@@H](C)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H27N3O2/c1-11(13-6-7-13)9-19-10-17-8-14(19)12(2)18-15(20)21-16(3,4)5/h8,10-13H,6-7,9H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyBZYPGZUKVXWHPV-PIJUOVFKSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986323
tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
CID 114986095
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245
tert-butyl N-[(1S)-1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
CID 104943808
tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
CID 114707455
tert-butyl N-[1-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]ethyl]carbamate
CID 114707474
tert-butyl N-[1-[3-(2-methylsulfinylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114707567
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(1R)-1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986113
tert-butyl N-[1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114702803
tert-butyl N-[(1S)-1-[3-[3-oxo-3-(propan-2-ylamino)propyl]imidazol-4-yl]ethyl]carbamate
CID 104943645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate (CID 114986351) is tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate is CC(Cn1cncc1[C@@H](C)NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is BZYPGZUKVXWHPV-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(13-6-7-13)9-19-10-17-8-14(19)12(2)18-15(20)21-16(3,4)5/h8,10-13H,6-7,9H2,1-5H3,(H,18,20)/t11?,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114986351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).