(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid

C28H27N3O4 — CID 67969414

IUPAC(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCn1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-31-25(22-10-6-3-7-11-22)18-24(30-31)27(33)29-23(17-26(32)28(34)35)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23,26,32H,16-17H2,1H3,(H,29,33)(H,34,35)/t23?,26-/m1/s1
InChIKeyYOLLKFBTKRBDEM-ANWICMFUSA-N
MW469.54 g/mol
LogP3.93
Rot. Bonds9

About (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid

(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid (PubChem CID 67969414) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
PubChem CID67969414
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCn1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-31-25(22-10-6-3-7-11-22)18-24(30-31)27(33)29-23(17-26(32)28(34)35)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23,26,32H,16-17H2,1H3,(H,29,33)(H,34,35)/t23?,26-/m1/s1
InChIKeyYOLLKFBTKRBDEM-ANWICMFUSA-N
XLogP3.93
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid (CID 67969414) is (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid is Cn1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)cc1-c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is YOLLKFBTKRBDEM-ANWICMFUSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-31-25(22-10-6-3-7-11-22)18-24(30-31)27(33)29-23(17-26(32)28(34)35)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23,26,32H,16-17H2,1H3,(H,29,33)(H,34,35)/t23?,26-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
(2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 469.54 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 67969414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).