benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate

C11H13F2NO2 — CID 156775037

IUPACbenzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate
SMILESC[C@@](N)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C11H13F2NO2/c1-11(14,9(12)13)10(15)16-7-8-5-3-2-4-6-8/h2-6,9H,7,14H2,1H3/t11-/m0/s1
InChIKeyUZSYHQQJMPZVGB-NSHDSACASA-N
MW229.23 g/mol
LogP1.71
Rot. Bonds4

About benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate

benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate (PubChem CID 156775037) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate
PubChem CID156775037
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namebenzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate
SMILESC[C@@](N)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C11H13F2NO2/c1-11(14,9(12)13)10(15)16-7-8-5-3-2-4-6-8/h2-6,9H,7,14H2,1H3/t11-/m0/s1
InChIKeyUZSYHQQJMPZVGB-NSHDSACASA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate 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 benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate?
The IUPAC name of benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate (CID 156775037) is benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate.
What is the SMILES notation for benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate?
The canonical SMILES for benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate is C[C@@](N)(C(=O)OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate?
The InChIKey is UZSYHQQJMPZVGB-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(14,9(12)13)10(15)16-7-8-5-3-2-4-6-8/h2-6,9H,7,14H2,1H3/t11-/m0/s1.
What are the key properties of benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate?
benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate has a molecular weight of 229.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate is sourced from PubChem (CID 156775037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).