tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate

C20H23NO4 — CID 42628242

IUPACtert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate
SMILESCC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)25-18(22)17(16-12-8-5-9-13-16)21-19(23)24-14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyUIYDKIPEEJMONH-QGZVFWFLSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate

tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate (PubChem CID 42628242) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate
PubChem CID42628242
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nametert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate
SMILESCC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)25-18(22)17(16-12-8-5-9-13-16)21-19(23)24-14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyUIYDKIPEEJMONH-QGZVFWFLSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)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 (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate (CID 42628242) is tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate is CC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is UIYDKIPEEJMONH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)25-18(22)17(16-12-8-5-9-13-16)21-19(23)24-14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate?
tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 341.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 42628242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).