1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C15H19FN2O4 — CID 122000671

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCNC(=O)N2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C15H19FN2O4/c1-22-13-3-2-10(8-12(13)16)4-6-17-15(21)18-7-5-11(9-18)14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVOMJMTJXPDZCGD-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122000671) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122000671
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCNC(=O)N2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C15H19FN2O4/c1-22-13-3-2-10(8-12(13)16)4-6-17-15(21)18-7-5-11(9-18)14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVOMJMTJXPDZCGD-UHFFFAOYSA-N
XLogP1.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
1-[2-(3-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007190
1-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122002866
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122000671) is 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is COc1ccc(CCNC(=O)N2CCC(C(=O)O)C2)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VOMJMTJXPDZCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-22-13-3-2-10(8-12(13)16)4-6-17-15(21)18-7-5-11(9-18)14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122000671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).