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

C15H19NO5 — CID 63032662

IUPAC1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-13-5-3-12(20-2)4-6-13)14(17)16-8-7-11(9-16)15(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyPIQHBWMWTMDICC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.40
Rot. Bonds5

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

1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032662) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032662
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-13-5-3-12(20-2)4-6-13)14(17)16-8-7-11(9-16)15(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyPIQHBWMWTMDICC-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
1-[3-(4-methoxyphenyl)azepan-1-yl]-2-phenoxypropan-1-one
CID 121146998
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid (CID 63032662) is 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid is COc1ccc(OC(C)C(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PIQHBWMWTMDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(21-13-5-3-12(20-2)4-6-13)14(17)16-8-7-11(9-16)15(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).