tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate

C13H21N3O2 — CID 114986138

IUPACtert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cncn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-9(15-12(17)18-13(2,3)4)11-7-14-8-16(11)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyOBJQYOMXQJXRKE-SECBINFHSA-N
MW251.33 g/mol
LogP2.80
Rot. Bonds3

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

tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate (PubChem CID 114986138) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
PubChem CID114986138
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cncn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-9(15-12(17)18-13(2,3)4)11-7-14-8-16(11)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyOBJQYOMXQJXRKE-SECBINFHSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114707734
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
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-[1-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]ethyl]carbamate
CID 114707474
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245
tert-butyl N-[1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114702803
tert-butyl N-[(1R)-1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate (CID 114986138) is tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1cncn1C1CC1.
What is the InChIKey of tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate?
The InChIKey is OBJQYOMXQJXRKE-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(15-12(17)18-13(2,3)4)11-7-14-8-16(11)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,15,17)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.80, 3 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-cyclopropylimidazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 114986138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).