(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 78922353

IUPAC(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)20-10-8-14(17)16-9-2-3-13(16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyUUDHADPHTAIXIR-CYBMUJFWSA-N
MW277.32 g/mol
LogP1.84
Rot. Bonds5

About (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922353) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922353
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)20-10-8-14(17)16-9-2-3-13(16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyUUDHADPHTAIXIR-CYBMUJFWSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[2-(4-phenoxybutanoylamino)acetyl]pyrrolidine-2-carboxylic acid;toluene
CID 163225404
(2S)-1-(3-pyridin-3-yloxypropanoyl)pyrrolidine-2-carboxylic acid
CID 110837105
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 102738084
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 78922353) is (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid is Cc1ccc(OCCC(=O)N2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UUDHADPHTAIXIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)20-10-8-14(17)16-9-2-3-13(16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).