(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid

C26H24N4O2 — CID 24894612

IUPAC(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)cn2)cc1)C(=O)O
InChIInChI=1S/C26H24N4O2/c27-23(26(31)32)14-18-6-12-22(13-7-18)24-16-30-25(17-28-24)29-15-19-8-10-21(11-9-19)20-4-2-1-3-5-20/h1-13,16-17,23H,14-15,27H2,(H,29,30)(H,31,32)/t23-/m0/s1
InChIKeyWUMXAZAXWUQRPI-QHCPKHFHSA-N
MW424.50 g/mol
LogP4.38
Rot. Bonds8

About (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid

(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid (PubChem CID 24894612) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid
PubChem CID24894612
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)cn2)cc1)C(=O)O
InChIInChI=1S/C26H24N4O2/c27-23(26(31)32)14-18-6-12-22(13-7-18)24-16-30-25(17-28-24)29-15-19-8-10-21(11-9-19)20-4-2-1-3-5-20/h1-13,16-17,23H,14-15,27H2,(H,29,30)(H,31,32)/t23-/m0/s1
InChIKeyWUMXAZAXWUQRPI-QHCPKHFHSA-N
XLogP4.38
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid (CID 24894612) is (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid is N[C@@H](Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)cn2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid?
The InChIKey is WUMXAZAXWUQRPI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-23(26(31)32)14-18-6-12-22(13-7-18)24-16-30-25(17-28-24)29-15-19-8-10-21(11-9-19)20-4-2-1-3-5-20/h1-13,16-17,23H,14-15,27H2,(H,29,30)(H,31,32)/t23-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid has a molecular weight of 424.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[5-[(4-phenylphenyl)methylamino]pyrazin-2-yl]phenyl]propanoic acid is sourced from PubChem (CID 24894612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).