3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid

C12H23N3O3 — CID 43522466

IUPAC3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)N(C)C)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(12(18)13(2)3)15-8-6-14(7-9-15)5-4-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyWFRWJZVFUZFZRC-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.44
Rot. Bonds5

About 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid

3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid (PubChem CID 43522466) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
PubChem CID43522466
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)N(C)C)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(12(18)13(2)3)15-8-6-14(7-9-15)5-4-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyWFRWJZVFUZFZRC-UHFFFAOYSA-N
XLogP-0.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
CID 65055622
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid (CID 43522466) is 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid is CC(C(=O)N(C)C)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid?
The InChIKey is WFRWJZVFUZFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(12(18)13(2)3)15-8-6-14(7-9-15)5-4-11(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid?
3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).