tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate

C25H26N2O4 — CID 58674951

IUPACtert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C(Cc1ccccc1)n1cccc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C25H26N2O4/c1-25(2,3)31-24(30)21(17-18-11-6-4-7-12-18)27-16-10-15-20(23(27)29)26-22(28)19-13-8-5-9-14-19/h4-16,21H,17H2,1-3H3,(H,26,28)
InChIKeyFRXPRPSXCBDMJP-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.23
Rot. Bonds6

About tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate

tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate (PubChem CID 58674951) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
PubChem CID58674951
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Nametert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C(Cc1ccccc1)n1cccc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C25H26N2O4/c1-25(2,3)31-24(30)21(17-18-11-6-4-7-12-18)27-16-10-15-20(23(27)29)26-22(28)19-13-8-5-9-14-19/h4-16,21H,17H2,1-3H3,(H,26,28)
InChIKeyFRXPRPSXCBDMJP-UHFFFAOYSA-N
XLogP4.23
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674957
(3S)-3-[[(2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-4-phenylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 87115222
[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
CID 66622033
tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate
CID 66696847
3-[2-(3-benzamido-2-oxo-1-pyridinyl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 72958408
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
tert-butyl (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoate
CID 102000912
tert-butyl N-(2-benzamidophenyl)iminocarbamate
CID 135025532
tert-butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 139986804
tert-butyl 2-[3-[(4-iodophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]propanoate
CID 58936512
tert-butyl N-[2-[[4-[4-hydroxy-2-(phenylcarbamoyl)butyl]benzoyl]amino]phenyl]carbamate
CID 58001205

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The IUPAC name of tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate (CID 58674951) is tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate is CC(C)(C)OC(=O)C(Cc1ccccc1)n1cccc(NC(=O)c2ccccc2)c1=O.
What is the InChIKey of tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The InChIKey is FRXPRPSXCBDMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-25(2,3)31-24(30)21(17-18-11-6-4-7-12-18)27-16-10-15-20(23(27)29)26-22(28)19-13-8-5-9-14-19/h4-16,21H,17H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate?
tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate has a molecular weight of 418.49 g/mol, XLogP of 4.23, 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-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate is sourced from PubChem (CID 58674951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).