methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate

C17H18N2O4 — CID 153320722

IUPACmethyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate
SMILESCOC(=O)N[C@H](C(=O)OC)[C@@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O4/c1-22-16(20)15(19-17(21)23-2)14(12-7-4-3-5-8-12)13-9-6-10-18-11-13/h3-11,14-15H,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPDVCLCZIDAFLOD-GJZGRUSLSA-N
MW314.34 g/mol
LogP2.11
Rot. Bonds5

About methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate

methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate (PubChem CID 153320722) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate
PubChem CID153320722
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate
SMILESCOC(=O)N[C@H](C(=O)OC)[C@@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O4/c1-22-16(20)15(19-17(21)23-2)14(12-7-4-3-5-8-12)13-9-6-10-18-11-13/h3-11,14-15H,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPDVCLCZIDAFLOD-GJZGRUSLSA-N
XLogP2.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate?
The IUPAC name of methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate (CID 153320722) is methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate?
The canonical SMILES for methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate is COC(=O)N[C@H](C(=O)OC)[C@@H](c1ccccc1)c1cccnc1.
What is the InChIKey of methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate?
The InChIKey is PDVCLCZIDAFLOD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-16(20)15(19-17(21)23-2)14(12-7-4-3-5-8-12)13-9-6-10-18-11-13/h3-11,14-15H,1-2H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate?
methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate has a molecular weight of 314.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 153320722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).