ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C11H19F2NO4 — CID 137333084

IUPACethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(F)(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-6-17-8(15)11(12,13)7-14(5)9(16)18-10(2,3)4/h6-7H2,1-5H3
InChIKeyIHUNEKWPBUXYGE-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 137333084) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID137333084
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Nameethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(F)(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-6-17-8(15)11(12,13)7-14(5)9(16)18-10(2,3)4/h6-7H2,1-5H3
InChIKeyIHUNEKWPBUXYGE-UHFFFAOYSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate 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 ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 137333084) is ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)C(F)(F)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is IHUNEKWPBUXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-6-17-8(15)11(12,13)7-14(5)9(16)18-10(2,3)4/h6-7H2,1-5H3.
What are the key properties of ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 267.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 137333084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).