(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

C25H26N4O5 — CID 67969513

IUPAC(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCC2)[nH]n1
InChIInChI=1S/C25H26N4O5/c30-22(25(33)34)14-19(13-16-7-9-18(10-8-16)17-5-2-1-3-6-17)26-23(31)20-15-21(28-27-20)24(32)29-11-4-12-29/h1-3,5-10,15,19,22,30H,4,11-14H2,(H,26,31)(H,27,28)(H,33,34)/t19-,22-/m1/s1
InChIKeyBUIHWMDHMVFMEG-DENIHFKCSA-N
MW462.51 g/mol
LogP2.10
Rot. Bonds9

About (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 67969513) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID67969513
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCC2)[nH]n1
InChIInChI=1S/C25H26N4O5/c30-22(25(33)34)14-19(13-16-7-9-18(10-8-16)17-5-2-1-3-6-17)26-23(31)20-15-21(28-27-20)24(32)29-11-4-12-29/h1-3,5-10,15,19,22,30H,4,11-14H2,(H,26,31)(H,27,28)(H,33,34)/t19-,22-/m1/s1
InChIKeyBUIHWMDHMVFMEG-DENIHFKCSA-N
XLogP2.10
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid with MolForge

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Related Compounds

(2R,4R)-4-[(5-Acetyl-1H-pyrazole-3-carbonyl)amino]-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-hydroxypentanoic Acid Ethyl Ester
CID 86705149
US10759813, Example 24
CID 57378095
US10759813, Example 2-C
CID 57378207
US10759813, Example 15-35
CID 67969395
US10759813, Example 5-B
CID 67969492
US10759813, Example 2-D
CID 67969512
US10759813, Example 1-B
CID 67969619
US10759813, Example 3-C
CID 67969701
US10759813, Example 8-B
CID 67969766
(2R,4R)-4-[(5-Acetyl-1H-pyrazole-3-carbonyl)amino]-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic Acid Ethyl Ester
CID 86705152
US10130642, Example 4-24
CID 137553954
US10130642, Example 4-25
CID 137553955

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 67969513) is (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCC2)[nH]n1.
What is the InChIKey of (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is BUIHWMDHMVFMEG-DENIHFKCSA-N. The full InChI is InChI=1S/C25H26N4O5/c30-22(25(33)34)14-19(13-16-7-9-18(10-8-16)17-5-2-1-3-6-17)26-23(31)20-15-21(28-27-20)24(32)29-11-4-12-29/h1-3,5-10,15,19,22,30H,4,11-14H2,(H,26,31)(H,27,28)(H,33,34)/t19-,22-/m1/s1.
What are the key properties of (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
(2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 462.51 g/mol, XLogP of 2.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[[5-(azetidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 67969513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).