1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid

C15H27N3O3 — CID 106975960

IUPAC1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H27N3O3/c1-2-6-15(14(20)21)7-3-8-18(15)13(19)11-17-9-4-12(16)5-10-17/h12H,2-11,16H2,1H3,(H,20,21)
InChIKeyZWYHOAXJUOLIPR-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid

1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106975960) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106975960
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H27N3O3/c1-2-6-15(14(20)21)7-3-8-18(15)13(19)11-17-9-4-12(16)5-10-17/h12H,2-11,16H2,1H3,(H,20,21)
InChIKeyZWYHOAXJUOLIPR-UHFFFAOYSA-N
XLogP0.66
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976153
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976079
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106975960) is 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CN1CCC(N)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZWYHOAXJUOLIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-6-15(14(20)21)7-3-8-18(15)13(19)11-17-9-4-12(16)5-10-17/h12H,2-11,16H2,1H3,(H,20,21).
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106975960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).