5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid

C18H17NO4 — CID 2968114

IUPAC5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO4/c20-17-10-14(18(21)22)11-19(17)15-6-8-16(9-7-15)23-12-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,22)
InChIKeyRZQMFZBILLDSRX-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.70
Rot. Bonds5

About 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 2968114) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID2968114
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO4/c20-17-10-14(18(21)22)11-19(17)15-6-8-16(9-7-15)23-12-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,22)
InChIKeyRZQMFZBILLDSRX-UHFFFAOYSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
methyl 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 5165669
methyl (3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 1272534
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3514336
[2-(2,4-dichlorophenyl)-2-oxoethyl] (3R)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 126007020
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080898

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid (CID 2968114) is 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RZQMFZBILLDSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-10-14(18(21)22)11-19(17)15-6-8-16(9-7-15)23-12-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,22).
What are the key properties of 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2968114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).