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

C16H22N2O3 — CID 83060774

IUPAC2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC1(CC)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-16(14(19)20)11-8-12-18(16)15(21)17(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20)
InChIKeyHCOIWZQHCZJTRQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.96
Rot. Bonds4

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

2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83060774) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83060774
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC1(CC)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-16(14(19)20)11-8-12-18(16)15(21)17(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20)
InChIKeyHCOIWZQHCZJTRQ-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
1-[2-[2-(aminomethyl)phenyl]acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83058477
1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 166279360
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83060774) is 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCN(C(=O)N1CCCC1(CC)C(=O)O)c1ccccc1.
What is the InChIKey of 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HCOIWZQHCZJTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(14(19)20)11-8-12-18(16)15(21)17(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83060774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).