methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate

C14H21N3O4 — CID 169467852

IUPACmethyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate
SMILESCOC(=O)c1nc(C=CCNC(=O)OC(C)(C)C)cn1C
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-8-6-7-10-9-17(4)11(16-10)12(18)20-5/h6-7,9H,8H2,1-5H3,(H,15,19)
InChIKeyJMJYOVOFDPRYGY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds4

About methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate

methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate (PubChem CID 169467852) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate
PubChem CID169467852
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate
SMILESCOC(=O)c1nc(C=CCNC(=O)OC(C)(C)C)cn1C
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-8-6-7-10-9-17(4)11(16-10)12(18)20-5/h6-7,9H,8H2,1-5H3,(H,15,19)
InChIKeyJMJYOVOFDPRYGY-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-chlorobut-1-enyl)-1-methylimidazole-2-carboxylate
CID 170499480
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169467138
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate (CID 169467852) is methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate is COC(=O)c1nc(C=CCNC(=O)OC(C)(C)C)cn1C.
What is the InChIKey of methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate?
The InChIKey is JMJYOVOFDPRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-8-6-7-10-9-17(4)11(16-10)12(18)20-5/h6-7,9H,8H2,1-5H3,(H,15,19).
What are the key properties of methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate?
methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]imidazole-2-carboxylate is sourced from PubChem (CID 169467852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).