tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate

C10H16F2N2O3 — CID 165138724

IUPACtert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-9(2,3)17-7(15)4-13-8(16)14-5-10(11,12)6-14/h4-6H2,1-3H3,(H,13,16)
InChIKeyHORICYNGAWGBBG-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.99
Rot. Bonds2

About tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate

tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate (PubChem CID 165138724) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate
PubChem CID165138724
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Nametert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-9(2,3)17-7(15)4-13-8(16)14-5-10(11,12)6-14/h4-6H2,1-3H3,(H,13,16)
InChIKeyHORICYNGAWGBBG-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate 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 tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate (CID 165138724) is tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)N1CC(F)(F)C1.
What is the InChIKey of tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate?
The InChIKey is HORICYNGAWGBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-9(2,3)17-7(15)4-13-8(16)14-5-10(11,12)6-14/h4-6H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate?
tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate has a molecular weight of 250.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 165138724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).