tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate

C11H19N3O2 — CID 114986188

IUPACtert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cncn1C
InChIInChI=1S/C11H19N3O2/c1-8(9-6-12-7-14(9)5)13-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyAWPVCAPXIXPALR-QMMMGPOBSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate (PubChem CID 114986188) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
PubChem CID114986188
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cncn1C
InChIInChI=1S/C11H19N3O2/c1-8(9-6-12-7-14(9)5)13-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyAWPVCAPXIXPALR-QMMMGPOBSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
methyl 3-[5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 114986247
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245
tert-butyl N-[1-[3-(3-aminopropyl)imidazol-4-yl]ethyl]carbamate
CID 114704397
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
tert-butyl N-[1-[3-(4-methoxybutyl)imidazol-4-yl]ethyl]carbamate
CID 114704717
tert-butyl N-[(1S)-1-[3-[3-oxo-3-(propan-2-ylamino)propyl]imidazol-4-yl]ethyl]carbamate
CID 104943645
tert-butyl N-[1-(3-prop-2-ynylimidazol-4-yl)ethyl]carbamate
CID 114704246
tert-butyl N-[(1S)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate (CID 114986188) is tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1cncn1C.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate?
The InChIKey is AWPVCAPXIXPALR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(9-6-12-7-14(9)5)13-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 114986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).