1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid

C14H25NO4 — CID 106977335

IUPAC1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-7-14(13(17)18)8-5-9-15(14)12(16)6-11-19-10-4-2/h3-11H2,1-2H3,(H,17,18)
InChIKeyYYANNEGQZOQNFZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds8

About 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977335) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977335
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-7-14(13(17)18)8-5-9-15(14)12(16)6-11-19-10-4-2/h3-11H2,1-2H3,(H,17,18)
InChIKeyYYANNEGQZOQNFZ-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
1-(2-but-3-enoxyethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106405035
1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976163
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977335) is 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCOCCC(=O)N1CCCC1(CCC)C(=O)O.
What is the InChIKey of 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is YYANNEGQZOQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-7-14(13(17)18)8-5-9-15(14)12(16)6-11-19-10-4-2/h3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).