[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate

C8H11N3O4 — CID 175128085

IUPAC[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate
SMILESCOC(C)C(=O)c1nccn1OC(N)=O
InChIInChI=1S/C8H11N3O4/c1-5(14-2)6(12)7-10-3-4-11(7)15-8(9)13/h3-5H,1-2H3,(H2,9,13)
InChIKeyHDFIXNVYEKIBTB-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.39
Rot. Bonds4

About [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate

[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate (PubChem CID 175128085) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate.

Molecular Properties

Compound Name[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate
PubChem CID175128085
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate
SMILESCOC(C)C(=O)c1nccn1OC(N)=O
InChIInChI=1S/C8H11N3O4/c1-5(14-2)6(12)7-10-3-4-11(7)15-8(9)13/h3-5H,1-2H3,(H2,9,13)
InChIKeyHDFIXNVYEKIBTB-UHFFFAOYSA-N
XLogP-0.39
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate?
The IUPAC name of [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate (CID 175128085) is [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate.
What is the SMILES notation for [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate?
The canonical SMILES for [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate is COC(C)C(=O)c1nccn1OC(N)=O.
What is the InChIKey of [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate?
The InChIKey is HDFIXNVYEKIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5(14-2)6(12)7-10-3-4-11(7)15-8(9)13/h3-5H,1-2H3,(H2,9,13).
What are the key properties of [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate?
[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate has a molecular weight of 213.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropanoyl)imidazol-1-yl] carbamate is sourced from PubChem (CID 175128085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).