2-formamido-3-phenylpropanoic acid;pyrazine

C14H15N3O3 — CID 174670017

IUPAC2-formamido-3-phenylpropanoic acid;pyrazine
SMILESO=CNC(Cc1ccccc1)C(=O)O.c1cnccn1
InChIInChI=1S/C10H11NO3.C4H4N2/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h1-5,7,9H,6H2,(H,11,12)(H,13,14);1-4H
InChIKeyACKGSNJOSOHCSM-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.90
Rot. Bonds5

About 2-formamido-3-phenylpropanoic acid;pyrazine

2-formamido-3-phenylpropanoic acid;pyrazine (PubChem CID 174670017) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-formamido-3-phenylpropanoic acid;pyrazine.

Molecular Properties

Compound Name2-formamido-3-phenylpropanoic acid;pyrazine
PubChem CID174670017
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-formamido-3-phenylpropanoic acid;pyrazine
SMILESO=CNC(Cc1ccccc1)C(=O)O.c1cnccn1
InChIInChI=1S/C10H11NO3.C4H4N2/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h1-5,7,9H,6H2,(H,11,12)(H,13,14);1-4H
InChIKeyACKGSNJOSOHCSM-UHFFFAOYSA-N
XLogP0.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
methyl 2-formamido-3-phenylpropanoate
CID 595529
(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide
CID 67919740
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
2-formamido-3-(4-pyrrol-1-ylphenyl)propanoic acid
CID 23458844
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
2-formamido-6-phenylhexanoic acid
CID 114333732

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-phenylpropanoic acid;pyrazine?
The IUPAC name of 2-formamido-3-phenylpropanoic acid;pyrazine (CID 174670017) is 2-formamido-3-phenylpropanoic acid;pyrazine.
What is the SMILES notation for 2-formamido-3-phenylpropanoic acid;pyrazine?
The canonical SMILES for 2-formamido-3-phenylpropanoic acid;pyrazine is O=CNC(Cc1ccccc1)C(=O)O.c1cnccn1.
What is the InChIKey of 2-formamido-3-phenylpropanoic acid;pyrazine?
The InChIKey is ACKGSNJOSOHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.C4H4N2/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h1-5,7,9H,6H2,(H,11,12)(H,13,14);1-4H.
What are the key properties of 2-formamido-3-phenylpropanoic acid;pyrazine?
2-formamido-3-phenylpropanoic acid;pyrazine has a molecular weight of 273.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-phenylpropanoic acid;pyrazine is sourced from PubChem (CID 174670017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).