ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate

C15H25N3O4 — CID 104952130

IUPACethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-6-21-13(19)11(2)18-10-16-9-12(18)7-8-17-14(20)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyFOLCABMGCBGNCF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate

ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate (PubChem CID 104952130) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
PubChem CID104952130
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-6-21-13(19)11(2)18-10-16-9-12(18)7-8-17-14(20)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyFOLCABMGCBGNCF-UHFFFAOYSA-N
XLogP2.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
CID 104952089
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]ethyl]carbamate
CID 114722443
tert-butyl N-[2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114720434
tert-butyl N-[2-[3-(4-methyloxan-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952270
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114707619
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate?
The IUPAC name of ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate (CID 104952130) is ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate?
The canonical SMILES for ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate is CCOC(=O)C(C)n1cncc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate?
The InChIKey is FOLCABMGCBGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-6-21-13(19)11(2)18-10-16-9-12(18)7-8-17-14(20)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20).
What are the key properties of ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate?
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate has a molecular weight of 311.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate is sourced from PubChem (CID 104952130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).