[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate

C11H12F3N3O5 — CID 22363217

IUPAC[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESCOc1c(OCC(F)(F)F)ccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C11H12F3N3O5/c1-20-8-6(21-5-11(12,13)14)2-3-16-9(8)22-10(19)17-7(18)4-15/h2-3H,4-5,15H2,1H3,(H,17,18,19)
InChIKeyUZOPBUVVWXRTLH-UHFFFAOYSA-N
MW323.23 g/mol
LogP0.61
Rot. Bonds5

About [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate

[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate (PubChem CID 22363217) has the molecular formula C11H12F3N3O5 and a molecular weight of 323.23 g/mol. Its IUPAC name is [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
PubChem CID22363217
Molecular FormulaC11H12F3N3O5
Molecular Weight323.23 g/mol
Exact Mass323.07
IUPAC Name[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESCOc1c(OCC(F)(F)F)ccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C11H12F3N3O5/c1-20-8-6(21-5-11(12,13)14)2-3-16-9(8)22-10(19)17-7(18)4-15/h2-3H,4-5,15H2,1H3,(H,17,18,19)
InChIKeyUZOPBUVVWXRTLH-UHFFFAOYSA-N
XLogP0.61
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate (CID 22363217) is [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate.
What is the SMILES notation for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The canonical SMILES for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate is COc1c(OCC(F)(F)F)ccnc1OC(=O)NC(=O)CN.
What is the InChIKey of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The InChIKey is UZOPBUVVWXRTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O5/c1-20-8-6(21-5-11(12,13)14)2-3-16-9(8)22-10(19)17-7(18)4-15/h2-3H,4-5,15H2,1H3,(H,17,18,19).
What are the key properties of [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate has a molecular weight of 323.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).