methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate

C15H15N3O3 — CID 12580944

IUPACmethyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12(9-11-5-3-2-4-6-11)18-14(19)13-10-16-7-8-17-13/h2-8,10,12H,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAGZXSMPTQAISJW-LBPRGKRZSA-N
MW285.30 g/mol
LogP0.99
Rot. Bonds5

About methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate

methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate (PubChem CID 12580944) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate
PubChem CID12580944
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12(9-11-5-3-2-4-6-11)18-14(19)13-10-16-7-8-17-13/h2-8,10,12H,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAGZXSMPTQAISJW-LBPRGKRZSA-N
XLogP0.99
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate (CID 12580944) is methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate?
The InChIKey is AGZXSMPTQAISJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)12(9-11-5-3-2-4-6-11)18-14(19)13-10-16-7-8-17-13/h2-8,10,12H,9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate?
methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate has a molecular weight of 285.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoate is sourced from PubChem (CID 12580944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).