tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate

C26H34N2O4 — CID 135004146

IUPACtert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate
SMILESC[C@@H](C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1)N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C26H34N2O4/c1-18(28-21(17-31-26(28,5)6)19-13-9-7-10-14-19)23(29)27-22(20-15-11-8-12-16-20)24(30)32-25(2,3)4/h7-16,18,21-22H,17H2,1-6H3,(H,27,29)/t18-,21-,22-/m0/s1
InChIKeyFGLBGKQJUMCSEI-NYVOZVTQSA-N
MW438.57 g/mol
LogP4.38
Rot. Bonds6

About tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate

tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate (PubChem CID 135004146) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate
PubChem CID135004146
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate
SMILESC[C@@H](C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1)N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C26H34N2O4/c1-18(28-21(17-31-26(28,5)6)19-13-9-7-10-14-19)23(29)27-22(20-15-11-8-12-16-20)24(30)32-25(2,3)4/h7-16,18,21-22H,17H2,1-6H3,(H,27,29)/t18-,21-,22-/m0/s1
InChIKeyFGLBGKQJUMCSEI-NYVOZVTQSA-N
XLogP4.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate (CID 135004146) is tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate is C[C@@H](C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1)N1[C@H](c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate?
The InChIKey is FGLBGKQJUMCSEI-NYVOZVTQSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18(28-21(17-31-26(28,5)6)19-13-9-7-10-14-19)23(29)27-22(20-15-11-8-12-16-20)24(30)32-25(2,3)4/h7-16,18,21-22H,17H2,1-6H3,(H,27,29)/t18-,21-,22-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate?
tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate has a molecular weight of 438.57 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-phenylacetate is sourced from PubChem (CID 135004146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).