1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H25N3O3 — CID 106978284

IUPAC1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H25N3O3/c1-2-6-14(12(18)19)7-3-8-17(14)13(20)16-9-4-11(15)5-10-16/h11H,2-10,15H2,1H3,(H,18,19)
InChIKeyIKBQFVXDESLXRD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.25
Rot. Bonds3

About 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978284) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978284
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H25N3O3/c1-2-6-14(12(18)19)7-3-8-17(14)13(20)16-9-4-11(15)5-10-16/h11H,2-10,15H2,1H3,(H,18,19)
InChIKeyIKBQFVXDESLXRD-UHFFFAOYSA-N
XLogP1.25
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978545
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
1-(2-methylpyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978272
1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978600
1-(2-ethylpiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978208
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070767
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978284) is 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is IKBQFVXDESLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-6-14(12(18)19)7-3-8-17(14)13(20)16-9-4-11(15)5-10-16/h11H,2-10,15H2,1H3,(H,18,19).
What are the key properties of 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).