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

C24H27N3O5 — CID 67969766

IUPAC(2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCC(C)(O)c1cc(C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)n[nH]1
InChIInChI=1S/C24H27N3O5/c1-24(2,32)21-14-19(26-27-21)22(29)25-18(13-20(28)23(30)31)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20,28,32H,12-13H2,1-2H3,(H,25,29)(H,26,27)(H,30,31)/t18-,20-/m1/s1
InChIKeyOEQIDOHRESHFDT-UYAOXDASSA-N
MW437.50 g/mol
LogP2.48
Rot. Bonds9

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

(2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid (PubChem CID 67969766) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
PubChem CID67969766
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCC(C)(O)c1cc(C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)n[nH]1
InChIInChI=1S/C24H27N3O5/c1-24(2,32)21-14-19(26-27-21)22(29)25-18(13-20(28)23(30)31)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20,28,32H,12-13H2,1-2H3,(H,25,29)(H,26,27)(H,30,31)/t18-,20-/m1/s1
InChIKeyOEQIDOHRESHFDT-UYAOXDASSA-N
XLogP2.48
TPSA135.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9006249, Example 49-2
CID 49787141
5-[(1R,3S)-3-Carboxy-1-(3'-fluorobiphenyl-4-ylmethyl)-4-hydroxy-3-methyl-butylcarbamoyl]-1H-pyrazole-3-carboxylic Acid
CID 60148599
US10759813, Example 24
CID 57378095
US10759813, Example 2-C
CID 57378207
US10759813, Example 5-B
CID 67969492
US10759813, Example 2-D
CID 67969512
US10759813, Example 4-B
CID 67969513
US10759813, Example 1-B
CID 67969619
US10759813, Example 3-C
CID 67969701
US10759813, Example 15-5
CID 67970084
US10130642, Example 6-15
CID 68181253
US10759813, Example 18-32
CID 89961909

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid (CID 67969766) is (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid is CC(C)(O)c1cc(C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)n[nH]1.
What is the InChIKey of (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is OEQIDOHRESHFDT-UYAOXDASSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-24(2,32)21-14-19(26-27-21)22(29)25-18(13-20(28)23(30)31)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20,28,32H,12-13H2,1-2H3,(H,25,29)(H,26,27)(H,30,31)/t18-,20-/m1/s1.
What are the key properties of (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
(2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 437.50 g/mol, XLogP of 2.48, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-hydroxy-4-[[5-(2-hydroxypropan-2-yl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 67969766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).