(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid

C25H29N5O4 — CID 155903422

IUPAC(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCn1cc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)cn1
InChIInChI=1S/C25H29N5O4/c1-30-15-19(14-26-30)21-13-22(29-28-21)24(32)27-20(12-23(31)25(33)34)11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,14-15,20-23,28-29,31H,11-13H2,1H3,(H,27,32)(H,33,34)/t20?,21?,22?,23-/m1/s1
InChIKeyUSNMQUXNURZFSI-LYUBNGADSA-N
MW463.54 g/mol
LogP1.56
Rot. Bonds9

About (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid

(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid (PubChem CID 155903422) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
PubChem CID155903422
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
SMILESCn1cc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)cn1
InChIInChI=1S/C25H29N5O4/c1-30-15-19(14-26-30)21-13-22(29-28-21)24(32)27-20(12-23(31)25(33)34)11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,14-15,20-23,28-29,31H,11-13H2,1H3,(H,27,32)(H,33,34)/t20?,21?,22?,23-/m1/s1
InChIKeyUSNMQUXNURZFSI-LYUBNGADSA-N
XLogP1.56
TPSA128.51 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid with MolForge

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Related Compounds

(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 155903428
(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 155903423
(2S,4R)-2-hydroxy-4-[[5-(4-hydroxypiperidine-1-carbonyl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 155903439
(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
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
6-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]pyridazine-3-carboxylic acid
CID 67977221
5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
CID 67977223
(2R,4R)-4-[[5-(dimethylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67970051
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
cis-(1R,3S)-3-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 59608194
(2R,4R)-2-hydroxy-4-[[5-(3-methoxypropylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969702

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid (CID 155903422) is (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid is Cn1cc(C2CC(C(=O)NC(Cc3ccc(-c4ccccc4)cc3)C[C@@H](O)C(=O)O)NN2)cn1.
What is the InChIKey of (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is USNMQUXNURZFSI-LYUBNGADSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-30-15-19(14-26-30)21-13-22(29-28-21)24(32)27-20(12-23(31)25(33)34)11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,14-15,20-23,28-29,31H,11-13H2,1H3,(H,27,32)(H,33,34)/t20?,21?,22?,23-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid?
(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 463.54 g/mol, XLogP of 1.56, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 155903422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).