5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid

C24H23NO4 — CID 22680152

IUPAC5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2c(OCCc3ccccc3)ccc3ccccc23)C1
InChIInChI=1S/C24H23NO4/c26-23-14-19(24(27)28)15-25(23)16-21-20-9-5-4-8-18(20)10-11-22(21)29-13-12-17-6-2-1-3-7-17/h1-11,19H,12-16H2,(H,27,28)
InChIKeyIGDDXVAGTNJEQU-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.89
Rot. Bonds7

About 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 22680152) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID22680152
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2c(OCCc3ccccc3)ccc3ccccc23)C1
InChIInChI=1S/C24H23NO4/c26-23-14-19(24(27)28)15-25(23)16-21-20-9-5-4-8-18(20)10-11-22(21)29-13-12-17-6-2-1-3-7-17/h1-11,19H,12-16H2,(H,27,28)
InChIKeyIGDDXVAGTNJEQU-UHFFFAOYSA-N
XLogP3.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20990714
1-[2-[4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686397
1-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22685140
1-[2-(4-naphthalen-2-yloxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683236
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
5-oxo-1-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50978202
(3R)-1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147348
3-[4-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]piperazin-1-yl]propanenitrile
CID 54856302
5-oxo-1-[[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 20990768
1-ethyl-N-[2-(2-methoxynaphthalen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72913290
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid (CID 22680152) is 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2c(OCCc3ccccc3)ccc3ccccc23)C1.
What is the InChIKey of 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IGDDXVAGTNJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23-14-19(24(27)28)15-25(23)16-21-20-9-5-4-8-18(20)10-11-22(21)29-13-12-17-6-2-1-3-7-17/h1-11,19H,12-16H2,(H,27,28).
What are the key properties of 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22680152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).