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

C16H27N3O2 — CID 114986095

IUPACtert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cncn1CC1CCCC1
InChIInChI=1S/C16H27N3O2/c1-12(18-15(20)21-16(2,3)4)14-9-17-11-19(14)10-13-7-5-6-8-13/h9,11-13H,5-8,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyQQAUJPDHTIHIHN-LBPRGKRZSA-N
MW293.41 g/mol
LogP3.66
Rot. Bonds4

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

tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 114986095) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
PubChem CID114986095
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cncn1CC1CCCC1
InChIInChI=1S/C16H27N3O2/c1-12(18-15(20)21-16(2,3)4)14-9-17-11-19(14)10-13-7-5-6-8-13/h9,11-13H,5-8,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyQQAUJPDHTIHIHN-LBPRGKRZSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]ethyl]carbamate
CID 114707474
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
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-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
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-[(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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate (CID 114986095) is tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1cncn1CC1CCCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is QQAUJPDHTIHIHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(18-15(20)21-16(2,3)4)14-9-17-11-19(14)10-13-7-5-6-8-13/h9,11-13H,5-8,10H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.66, 4 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-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).