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

C27H28ClN3O4 — CID 155903423

IUPAC(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C27H28ClN3O4/c28-22-9-5-4-8-21(22)23-16-24(31-30-23)26(33)29-20(15-25(32)27(34)35)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,23-25,30-32H,14-16H2,(H,29,33)(H,34,35)/t20?,23?,24?,25-/m1/s1
InChIKeyVCYSDOXSKJTOHV-GCYFSXCXSA-N
MW493.99 g/mol
LogP3.48
Rot. Bonds9

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

(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 155903423) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID155903423
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC Name(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C27H28ClN3O4/c28-22-9-5-4-8-21(22)23-16-24(31-30-23)26(33)29-20(15-25(32)27(34)35)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,23-25,30-32H,14-16H2,(H,29,33)(H,34,35)/t20?,23?,24?,25-/m1/s1
InChIKeyVCYSDOXSKJTOHV-GCYFSXCXSA-N
XLogP3.48
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]pentanoic acid
CID 155903482
(2R)-2-hydroxy-4-[[5-(1-methylpyrazol-4-yl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 155903422
(2R)-4-[[5-(3-acetamidophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 155903428
(2S,4R)-2-hydroxy-4-[[5-(4-hydroxypiperidine-1-carbonyl)pyrazolidine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 155903439
(2R,4R)-5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(5-pyridin-3-ylpyrazolidine-3-carbonyl)amino]pentanoic acid
CID 155903493
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
CID 67977223
6-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]pyridazine-3-carboxylic acid
CID 67977221
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
cis-(1R,3S)-3-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 59608194

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 155903423) is (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is VCYSDOXSKJTOHV-GCYFSXCXSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c28-22-9-5-4-8-21(22)23-16-24(31-30-23)26(33)29-20(15-25(32)27(34)35)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20,23-25,30-32H,14-16H2,(H,29,33)(H,34,35)/t20?,23?,24?,25-/m1/s1.
What are the key properties of (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 493.99 g/mol, XLogP of 3.48, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 155903423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).