phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C24H22N4O4 — CID 126189043

IUPACphenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C24H22N4O4/c29-20-15-22(28(16-20)24(31)32-21-9-5-2-6-10-21)23(30)25-17-11-13-19(14-12-17)27-26-18-7-3-1-4-8-18/h1-14,20,22,29H,15-16H2,(H,25,30)/b27-26+/t20-,22+/m1/s1
InChIKeyNVSMMNHWEBOESG-CQWCOOMLSA-N
MW430.46 g/mol
LogP4.67
Rot. Bonds5

About phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 126189043) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID126189043
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namephenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C24H22N4O4/c29-20-15-22(28(16-20)24(31)32-21-9-5-2-6-10-21)23(30)25-17-11-13-19(14-12-17)27-26-18-7-3-1-4-8-18/h1-14,20,22,29H,15-16H2,(H,25,30)/b27-26+/t20-,22+/m1/s1
InChIKeyNVSMMNHWEBOESG-CQWCOOMLSA-N
XLogP4.67
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684625
phenyl 2-[(4-bromophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3112485
phenyl (2S,4S)-2-[(3,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1120674
phenyl (2S,4R)-4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 691779
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
phenyl 4-hydroxy-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 559843
tert-butyl (2S,4S)-4-hydroxy-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70176092
phenyl (2S,4S)-4-hydroxy-2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126010367
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
phenyl (2S,4R)-4-hydroxy-2-[(2-methyl-5-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1241058
methyl 2-[(4-ethynylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 174878738

Frequently Asked Questions

What is the IUPAC name of phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 126189043) is phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is NVSMMNHWEBOESG-CQWCOOMLSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-20-15-22(28(16-20)24(31)32-21-9-5-2-6-10-21)23(30)25-17-11-13-19(14-12-17)27-26-18-7-3-1-4-8-18/h1-14,20,22,29H,15-16H2,(H,25,30)/b27-26+/t20-,22+/m1/s1.
What are the key properties of phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126189043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).