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

C26H28N4O5 — CID 67969492

IUPAC(2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCCC2)[nH]n1
InChIInChI=1S/C26H28N4O5/c31-23(26(34)35)15-20(14-17-8-10-19(11-9-17)18-6-2-1-3-7-18)27-24(32)21-16-22(29-28-21)25(33)30-12-4-5-13-30/h1-3,6-11,16,20,23,31H,4-5,12-15H2,(H,27,32)(H,28,29)(H,34,35)/t20-,23-/m1/s1
InChIKeyOCADYRWLHGNYHF-NFBKMPQASA-N
MW476.53 g/mol
LogP2.49
Rot. Bonds9

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

(2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid (PubChem CID 67969492) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid
PubChem CID67969492
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name(2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid
SMILESO=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCCC2)[nH]n1
InChIInChI=1S/C26H28N4O5/c31-23(26(34)35)15-20(14-17-8-10-19(11-9-17)18-6-2-1-3-7-18)27-24(32)21-16-22(29-28-21)25(33)30-12-4-5-13-30/h1-3,6-11,16,20,23,31H,4-5,12-15H2,(H,27,32)(H,28,29)(H,34,35)/t20-,23-/m1/s1
InChIKeyOCADYRWLHGNYHF-NFBKMPQASA-N
XLogP2.49
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid (CID 67969492) is (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid is O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(C(=O)N2CCCC2)[nH]n1.
What is the InChIKey of (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid?
The InChIKey is OCADYRWLHGNYHF-NFBKMPQASA-N. The full InChI is InChI=1S/C26H28N4O5/c31-23(26(34)35)15-20(14-17-8-10-19(11-9-17)18-6-2-1-3-7-18)27-24(32)21-16-22(29-28-21)25(33)30-12-4-5-13-30/h1-3,6-11,16,20,23,31H,4-5,12-15H2,(H,27,32)(H,28,29)(H,34,35)/t20-,23-/m1/s1.
What are the key properties of (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid?
(2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid has a molecular weight of 476.53 g/mol, XLogP of 2.49, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-hydroxy-5-(4-phenylphenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 67969492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).