4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid

C19H19NO5 — CID 67051500

IUPAC4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)O
InChIInChI=1S/C19H19NO5/c1-25-17(21)16-11-19(24,12-20(16)18(22)23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,24H,11-12H2,1H3,(H,22,23)
InChIKeyILWJONRFPWOEBS-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.47
Rot. Bonds3

About 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid

4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid (PubChem CID 67051500) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid
PubChem CID67051500
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)O
InChIInChI=1S/C19H19NO5/c1-25-17(21)16-11-19(24,12-20(16)18(22)23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,24H,11-12H2,1H3,(H,22,23)
InChIKeyILWJONRFPWOEBS-UHFFFAOYSA-N
XLogP2.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-(cyclohexa-1,5-dien-1-ylmethyl) 2-O-methyl (2S,4R)-4-hydroxy-4-(4-phenylphenyl)pyrrolidine-1,2-dicarboxylate
CID 70299799
methyl (2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylate
CID 15386103
1-O-benzyl 2-O-methyl 4-(4-phenylphenyl)-4-propylsulfonylpyrrolidine-1,2-dicarboxylate
CID 67445605
(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 12941212
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2S,4S)-4-methyl-4-(4-phenylphenyl)pyrrolidine-2-carboxylate
CID 118630371
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
CID 68682512
dimethyl (2S,4S,5R)-1-hydroxy-5-(4-phenylphenyl)pyrrolidine-2,4-dicarboxylate
CID 56850487
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide
CID 101334532

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid (CID 67051500) is 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid is COC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)O.
What is the InChIKey of 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ILWJONRFPWOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-25-17(21)16-11-19(24,12-20(16)18(22)23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,24H,11-12H2,1H3,(H,22,23).
What are the key properties of 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid?
4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxycarbonyl-4-(4-phenylphenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67051500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).