3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid

C11H21N3O3 — CID 67207616

IUPAC3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCCCNC(=O)C1CNCCN1CCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-4-13-11(17)9-8-12-5-7-14(9)6-3-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyJNYZMQJBTPIOMT-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.74
Rot. Bonds6

About 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid

3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 67207616) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID67207616
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCCCNC(=O)C1CNCCN1CCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-4-13-11(17)9-8-12-5-7-14(9)6-3-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyJNYZMQJBTPIOMT-UHFFFAOYSA-N
XLogP-0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid (CID 67207616) is 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid is CCCNC(=O)C1CNCCN1CCC(=O)O.
What is the InChIKey of 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is JNYZMQJBTPIOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-4-13-11(17)9-8-12-5-7-14(9)6-3-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid?
3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 67207616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).