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

C18H22N2O3 — CID 58674957

IUPACtert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)[C@H](Cc1ccccc1)n1cccc(N)c1=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)15(12-13-8-5-4-6-9-13)20-11-7-10-14(19)16(20)21/h4-11,15H,12,19H2,1-3H3/t15-/m0/s1
InChIKeyCNPLQXCFEZYDIC-HNNXBMFYSA-N
MW314.38 g/mol
LogP2.56
Rot. Bonds4

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

tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate (PubChem CID 58674957) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
PubChem CID58674957
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nametert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)[C@H](Cc1ccccc1)n1cccc(N)c1=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)15(12-13-8-5-4-6-9-13)20-11-7-10-14(19)16(20)21/h4-11,15H,12,19H2,1-3H3/t15-/m0/s1
InChIKeyCNPLQXCFEZYDIC-HNNXBMFYSA-N
XLogP2.56
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

prop-1-en-2-yl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 89397607
tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674951
1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid
CID 66701664
tert-butyl (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoate
CID 102000912
tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate
CID 66696847
2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid
CID 57147718
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
tert-butyl (2R,3R)-2-benzyl-3-hydroxybutanoate
CID 100968642
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
ditert-butyl (2S)-2-benzylbutanedioate
CID 148503318

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The IUPAC name of tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate (CID 58674957) is tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate is CC(C)(C)OC(=O)[C@H](Cc1ccccc1)n1cccc(N)c1=O.
What is the InChIKey of tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate?
The InChIKey is CNPLQXCFEZYDIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)15(12-13-8-5-4-6-9-13)20-11-7-10-14(19)16(20)21/h4-11,15H,12,19H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate?
tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate has a molecular weight of 314.38 g/mol, XLogP of 2.56, 4 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-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate is sourced from PubChem (CID 58674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).