2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C15H20N2O4 — CID 83058197

IUPAC2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C15H20N2O4/c1-3-15(13(18)19)9-6-10-17(15)14(20)16-11-7-4-5-8-12(11)21-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPRNYEJFFVYQOME-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.56
Rot. Bonds4

About 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83058197) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83058197
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C15H20N2O4/c1-3-15(13(18)19)9-6-10-17(15)14(20)16-11-7-4-5-8-12(11)21-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPRNYEJFFVYQOME-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-fluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83065147
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
1-[(3,4-difluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060415
2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070331
(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
CID 95722580
1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105
N-(2-methoxyphenyl)oxazinane-2-carboxamide
CID 113415280
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83058197) is 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PRNYEJFFVYQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-15(13(18)19)9-6-10-17(15)14(20)16-11-7-4-5-8-12(11)21-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83058197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).