methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate

C11H15F2N3O3 — CID 166401717

IUPACmethyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate
SMILESCOC[C@@H](CC(=O)OC)Nc1cnc(C(F)F)cn1
InChIInChI=1S/C11H15F2N3O3/c1-18-6-7(3-10(17)19-2)16-9-5-14-8(4-15-9)11(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyKVHSTQSTKWINFS-SSDOTTSWSA-N
MW275.25 g/mol
LogP1.40
Rot. Bonds7

About methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate

methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate (PubChem CID 166401717) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate
PubChem CID166401717
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC Namemethyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate
SMILESCOC[C@@H](CC(=O)OC)Nc1cnc(C(F)F)cn1
InChIInChI=1S/C11H15F2N3O3/c1-18-6-7(3-10(17)19-2)16-9-5-14-8(4-15-9)11(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyKVHSTQSTKWINFS-SSDOTTSWSA-N
XLogP1.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate?
The IUPAC name of methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate (CID 166401717) is methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate.
What is the SMILES notation for methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate?
The canonical SMILES for methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate is COC[C@@H](CC(=O)OC)Nc1cnc(C(F)F)cn1.
What is the InChIKey of methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate?
The InChIKey is KVHSTQSTKWINFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-18-6-7(3-10(17)19-2)16-9-5-14-8(4-15-9)11(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate?
methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate has a molecular weight of 275.25 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[5-(difluoromethyl)pyrazin-2-yl]amino]-4-methoxybutanoate is sourced from PubChem (CID 166401717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).