(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C18H17NO5 — CID 7220291

IUPAC(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H17NO5/c1-23-15-4-2-3-5-16(15)24-14-8-6-13(7-9-14)19-11-12(18(21)22)10-17(19)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyFZUQBYHJGYTYHR-LBPRGKRZSA-N
MW327.34 g/mol
LogP2.92
Rot. Bonds5

About (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7220291) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7220291
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H17NO5/c1-23-15-4-2-3-5-16(15)24-14-8-6-13(7-9-14)19-11-12(18(21)22)10-17(19)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyFZUQBYHJGYTYHR-LBPRGKRZSA-N
XLogP2.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
[2-(3-methoxyphenyl)-2-oxoethyl] 1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 11837806
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 46569487
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 124579995
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 7220291) is (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid is COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1.
What is the InChIKey of (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FZUQBYHJGYTYHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-15-4-2-3-5-16(15)24-14-8-6-13(7-9-14)19-11-12(18(21)22)10-17(19)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7220291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).