tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate

C14H23N3O3 — CID 114705783

IUPACtert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cncn1C1CCC1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)20-13(19)16-11(8-18)12-7-15-9-17(12)10-5-4-6-10/h7,9-11,18H,4-6,8H2,1-3H3,(H,16,19)
InChIKeyYQZAYMVTQFVJHI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate

tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate (PubChem CID 114705783) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
PubChem CID114705783
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cncn1C1CCC1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)20-13(19)16-11(8-18)12-7-15-9-17(12)10-5-4-6-10/h7,9-11,18H,4-6,8H2,1-3H3,(H,16,19)
InChIKeyYQZAYMVTQFVJHI-UHFFFAOYSA-N
XLogP2.17
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
CID 114703660
tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114707734
tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
CID 114986095
2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66135618
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
tert-butyl N-[2-[3-(1,1-dioxothian-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952098
tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
CID 104944062

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate (CID 114705783) is tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC(CO)c1cncn1C1CCC1.
What is the InChIKey of tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate?
The InChIKey is YQZAYMVTQFVJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)20-13(19)16-11(8-18)12-7-15-9-17(12)10-5-4-6-10/h7,9-11,18H,4-6,8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate?
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 114705783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).