4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid

C10H20N4O5S — CID 70945465

IUPAC4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NCCC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N4O5S/c1-8(15)13-4-6-14(7-5-13)20(18,19)12-3-2-9(11)10(16)17/h9,12H,2-7,11H2,1H3,(H,16,17)
InChIKeyKKYROSQVWFKZBY-UHFFFAOYSA-N
MW308.36 g/mol
LogP-2.21
Rot. Bonds6

About 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid

4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid (PubChem CID 70945465) has the molecular formula C10H20N4O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid.

Molecular Properties

Compound Name4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
PubChem CID70945465
Molecular FormulaC10H20N4O5S
Molecular Weight308.36 g/mol
Exact Mass308.12
IUPAC Name4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NCCC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N4O5S/c1-8(15)13-4-6-14(7-5-13)20(18,19)12-3-2-9(11)10(16)17/h9,12H,2-7,11H2,1H3,(H,16,17)
InChIKeyKKYROSQVWFKZBY-UHFFFAOYSA-N
XLogP-2.21
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 67154193
(2S)-2-amino-4-(3-piperazin-1-ylpropanoylamino)butanoic acid
CID 67154452
(2S)-2-amino-4-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylamino]butanoic acid
CID 67154839
(2S)-2-amino-4-[[4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]butanoic acid
CID 67154918
(2S)-2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154955
2-Amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154957
(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036
(2S)-2-amino-4-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 67329344
(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944788
2-Amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944789
(2S)-2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945315
2-Amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The IUPAC name of 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid (CID 70945465) is 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid.
What is the SMILES notation for 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The canonical SMILES for 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid is CC(=O)N1CCN(S(=O)(=O)NCCC(N)C(=O)O)CC1.
What is the InChIKey of 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The InChIKey is KKYROSQVWFKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O5S/c1-8(15)13-4-6-14(7-5-13)20(18,19)12-3-2-9(11)10(16)17/h9,12H,2-7,11H2,1H3,(H,16,17).
What are the key properties of 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid has a molecular weight of 308.36 g/mol, XLogP of -2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid is sourced from PubChem (CID 70945465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).