1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid

C14H23NO5 — CID 63145461

IUPAC1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC(=O)OCC)C1
InChIInChI=1S/C14H23NO5/c1-3-7-14(13(18)19)8-9-15(10-14)11(16)5-6-12(17)20-4-2/h3-10H2,1-2H3,(H,18,19)
InChIKeyHDHGBTSPYXAAGC-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.43
Rot. Bonds7

About 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145461) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145461
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC(=O)OCC)C1
InChIInChI=1S/C14H23NO5/c1-3-7-14(13(18)19)8-9-15(10-14)11(16)5-6-12(17)20-4-2/h3-10H2,1-2H3,(H,18,19)
InChIKeyHDHGBTSPYXAAGC-UHFFFAOYSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-(3-methylsulfonylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146034
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148145
1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103155845
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
ethyl 4-(3-carbamoyl-3-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 114081822
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63145461) is 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CCC(=O)OCC)C1.
What is the InChIKey of 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is HDHGBTSPYXAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-7-14(13(18)19)8-9-15(10-14)11(16)5-6-12(17)20-4-2/h3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).