1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 23607540

IUPAC1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-11-7-5-10(6-8-11)15-14(19)16-9-3-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUEPOHRIRILYEIF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.17
Rot. Bonds4

About 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 23607540) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID23607540
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-11-7-5-10(6-8-11)15-14(19)16-9-3-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUEPOHRIRILYEIF-UHFFFAOYSA-N
XLogP2.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443229
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 23607540) is 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCOc1ccc(NC(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UEPOHRIRILYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-11-7-5-10(6-8-11)15-14(19)16-9-3-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23607540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).