2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid

C12H23N3O3 — CID 64581512

IUPAC2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CCN(CC(NC(C)=O)C(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-4-14-5-7-15(8-6-14)9-11(12(17)18)13-10(2)16/h11H,3-9H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZLMXNKAXXCZAHB-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.40
Rot. Bonds6

About 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid

2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid (PubChem CID 64581512) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
PubChem CID64581512
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CCN(CC(NC(C)=O)C(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-4-14-5-7-15(8-6-14)9-11(12(17)18)13-10(2)16/h11H,3-9H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZLMXNKAXXCZAHB-UHFFFAOYSA-N
XLogP-0.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 64582929
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
CID 64581514
2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
CID 64582932
2-acetamido-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]propanoic acid
CID 104933588
2-acetamido-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66392329
2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
CID 64582295
2-acetamido-3-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]propanoic acid
CID 107768180
3-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)propanoic acid
CID 62777105
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid (CID 64581512) is 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid is CCCN1CCN(CC(NC(C)=O)C(=O)O)CC1.
What is the InChIKey of 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid?
The InChIKey is ZLMXNKAXXCZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-4-14-5-7-15(8-6-14)9-11(12(17)18)13-10(2)16/h11H,3-9H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid?
2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 64581512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).