(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

C29H32N4O5 — CID 155903428

IUPAC(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESCC(=O)Nc1cccc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)c1
InChIInChI=1S/C29H32N4O5/c1-18(34)30-23-9-5-8-22(15-23)25-17-26(33-32-25)28(36)31-24(16-27(35)29(37)38)14-19-10-12-21(13-11-19)20-6-3-2-4-7-20/h2-13,15,24-27,32-33,35H,14,16-17H2,1H3,(H,30,34)(H,31,36)(H,37,38)/t24?,25?,26?,27-/m1/s1
InChIKeyHJGWFLWWVCNJAP-VZWKQKHMSA-N
MW516.60 g/mol
LogP2.78
Rot. Bonds10

About (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 155903428) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID155903428
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESCC(=O)Nc1cccc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)c1
InChIInChI=1S/C29H32N4O5/c1-18(34)30-23-9-5-8-22(15-23)25-17-26(33-32-25)28(36)31-24(16-27(35)29(37)38)14-19-10-12-21(13-11-19)20-6-3-2-4-7-20/h2-13,15,24-27,32-33,35H,14,16-17H2,1H3,(H,30,34)(H,31,36)(H,37,38)/t24?,25?,26?,27-/m1/s1
InChIKeyHJGWFLWWVCNJAP-VZWKQKHMSA-N
XLogP2.78
TPSA139.79 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 52.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 155903422
(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 155903423
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]pentanoic acid
CID 155903482
(2R,4R)-5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(5-pyridin-3-ylpyrazolidine-3-carbonyl)amino]pentanoic acid
CID 155903493
(2S,4R)-2-hydroxy-4-[[5-(4-hydroxypiperidine-1-carbonyl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 155903439
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(2-oxo-3-phenylpropanoyl)amino]pentanoic acid
CID 78324883
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[2-oxo-2-(pyridin-4-ylamino)acetyl]amino]pentanoic acid
CID 90386915
5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
CID 67977223
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 155903428) is (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is CC(=O)Nc1cccc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)c1.
What is the InChIKey of (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is HJGWFLWWVCNJAP-VZWKQKHMSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-18(34)30-23-9-5-8-22(15-23)25-17-26(33-32-25)28(36)31-24(16-27(35)29(37)38)14-19-10-12-21(13-11-19)20-6-3-2-4-7-20/h2-13,15,24-27,32-33,35H,14,16-17H2,1H3,(H,30,34)(H,31,36)(H,37,38)/t24?,25?,26?,27-/m1/s1.
What are the key properties of (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 516.60 g/mol, XLogP of 2.78, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 155903428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).