(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 78922418

IUPAC(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-2-11-5-7-12(8-6-11)20-10-14(17)16-9-3-4-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyVAASZMSDTPHQEM-CYBMUJFWSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds5

About (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922418) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922418
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-2-11-5-7-12(8-6-11)20-10-14(17)16-9-3-4-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyVAASZMSDTPHQEM-CYBMUJFWSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 79035220
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
(2R)-1-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119371261
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 78922418) is (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is CCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VAASZMSDTPHQEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-11-5-7-12(8-6-11)20-10-14(17)16-9-3-4-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).