1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C13H25N3O3 — CID 55164801

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCN(C)C)C1
InChIInChI=1S/C13H25N3O3/c1-4-5-13(11(17)18)6-8-16(10-13)12(19)14-7-9-15(2)3/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeySSYXPJMPHYZAIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds6

About 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55164801) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55164801
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCN(C)C)C1
InChIInChI=1S/C13H25N3O3/c1-4-5-13(11(17)18)6-8-16(10-13)12(19)14-7-9-15(2)3/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeySSYXPJMPHYZAIB-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 55164801) is 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is SSYXPJMPHYZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-5-13(11(17)18)6-8-16(10-13)12(19)14-7-9-15(2)3/h4-10H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55164801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).