1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 106978175

IUPAC1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-5-8-15(13(18)19)9-7-10-17(15)14(20)16(6-2)11-12(3)4/h3,5-11H2,1-2,4H3,(H,18,19)
InChIKeyOWZLLJLCBZBFHK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.72
Rot. Bonds6

About 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978175) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978175
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-5-8-15(13(18)19)9-7-10-17(15)14(20)16(6-2)11-12(3)4/h3,5-11H2,1-2,4H3,(H,18,19)
InChIKeyOWZLLJLCBZBFHK-UHFFFAOYSA-N
XLogP2.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
1-[tert-butyl(prop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978528
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978175) is 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is C=C(C)CN(CC)C(=O)N1CCCC1(CCC)C(=O)O.
What is the InChIKey of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is OWZLLJLCBZBFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-8-15(13(18)19)9-7-10-17(15)14(20)16(6-2)11-12(3)4/h3,5-11H2,1-2,4H3,(H,18,19).
What are the key properties of 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).