methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C13H19N3O4 — CID 66153111

IUPACmethyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cncn1C1CC1
InChIInChI=1S/C13H19N3O4/c1-19-12(17)7-15(8-13(18)20-2)6-11-5-14-9-16(11)10-3-4-10/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyFCUHHFMDTWOYII-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.37
Rot. Bonds7

About methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 66153111) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID66153111
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cncn1C1CC1
InChIInChI=1S/C13H19N3O4/c1-19-12(17)7-15(8-13(18)20-2)6-11-5-14-9-16(11)10-3-4-10/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyFCUHHFMDTWOYII-UHFFFAOYSA-N
XLogP0.37
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 66153111) is methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1cncn1C1CC1.
What is the InChIKey of methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is FCUHHFMDTWOYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-12(17)7-15(8-13(18)20-2)6-11-5-14-9-16(11)10-3-4-10/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 281.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 66153111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).