1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 106405035

IUPAC1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESC=CCCOCCNC(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-5-11-21-12-9-16-14(20)17-10-6-8-15(17,7-4-2)13(18)19/h3H,1,4-12H2,2H3,(H,16,20)(H,18,19)
InChIKeyGCNGTVPKTYFGBY-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.01
Rot. Bonds9

About 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106405035) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106405035
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESC=CCCOCCNC(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-5-11-21-12-9-16-14(20)17-10-6-8-15(17,7-4-2)13(18)19/h3H,1,4-12H2,2H3,(H,16,20)(H,18,19)
InChIKeyGCNGTVPKTYFGBY-UHFFFAOYSA-N
XLogP2.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-(3-methylsulfanylbutylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978589
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-(2-imidazol-1-ylethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978311
1-(2-carbamoyloxyethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83203913
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978357
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106405035) is 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is C=CCCOCCNC(=O)N1CCCC1(CCC)C(=O)O.
What is the InChIKey of 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GCNGTVPKTYFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-11-21-12-9-16-14(20)17-10-6-8-15(17,7-4-2)13(18)19/h3H,1,4-12H2,2H3,(H,16,20)(H,18,19).
What are the key properties of 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106405035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).