3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid

C13H26N4O3 — CID 62852659

IUPAC3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H26N4O3/c1-3-17(10-11(2)12(18)19)13(20)15-6-9-16-7-4-14-5-8-16/h11,14H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFHPGYRCELDOVQH-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.36
Rot. Bonds7

About 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid

3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62852659) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62852659
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H26N4O3/c1-3-17(10-11(2)12(18)19)13(20)15-6-9-16-7-4-14-5-8-16/h11,14H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFHPGYRCELDOVQH-UHFFFAOYSA-N
XLogP-0.36
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid (CID 62852659) is 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCCN1CCNCC1.
What is the InChIKey of 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is FHPGYRCELDOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-17(10-11(2)12(18)19)13(20)15-6-9-16-7-4-14-5-8-16/h11,14H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 286.38 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-piperazin-1-ylethylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).