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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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).