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

C12H22N2O3 — CID 106976097

IUPAC1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CC(C)N
InChIInChI=1S/C12H22N2O3/c1-3-5-12(11(16)17)6-4-7-14(12)10(15)8-9(2)13/h9H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyWVFHOHQLUCGIAS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds5

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

1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976097) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976097
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CC(C)N
InChIInChI=1S/C12H22N2O3/c1-3-5-12(11(16)17)6-4-7-14(12)10(15)8-9(2)13/h9H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyWVFHOHQLUCGIAS-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)-5-methylhexanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976053
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976137

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976097) is 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CC(C)N.
What is the InChIKey of 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is WVFHOHQLUCGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-12(11(16)17)6-4-7-14(12)10(15)8-9(2)13/h9H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).