(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid

C23H25N5O4 — CID 118252263

IUPAC(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid
SMILESO=C(O)CC[C@H](CNCC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn[nH]n1
InChIInChI=1S/C23H25N5O4/c29-20(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)14-24-13-19(10-11-22(30)31)26-23(32)21-15-25-28-27-21/h1-9,15,19,24H,10-14H2,(H,26,32)(H,30,31)(H,25,27,28)/t19-/m1/s1
InChIKeyUUVIHEPIJPNYAG-LJQANCHMSA-N
MW435.48 g/mol
LogP1.84
Rot. Bonds12

About (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid

(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid (PubChem CID 118252263) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid
PubChem CID118252263
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid
SMILESO=C(O)CC[C@H](CNCC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn[nH]n1
InChIInChI=1S/C23H25N5O4/c29-20(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)14-24-13-19(10-11-22(30)31)26-23(32)21-15-25-28-27-21/h1-9,15,19,24H,10-14H2,(H,26,32)(H,30,31)(H,25,27,28)/t19-/m1/s1
InChIKeyUUVIHEPIJPNYAG-LJQANCHMSA-N
XLogP1.84
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid?
The IUPAC name of (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid (CID 118252263) is (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid is O=C(O)CC[C@H](CNCC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn[nH]n1.
What is the InChIKey of (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid?
The InChIKey is UUVIHEPIJPNYAG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O4/c29-20(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)14-24-13-19(10-11-22(30)31)26-23(32)21-15-25-28-27-21/h1-9,15,19,24H,10-14H2,(H,26,32)(H,30,31)(H,25,27,28)/t19-/m1/s1.
What are the key properties of (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid?
(4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid has a molecular weight of 435.48 g/mol, XLogP of 1.84, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[[2-oxo-3-(4-phenylphenyl)propyl]amino]-4-(2H-triazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 118252263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).