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

C10H20N4O5S — CID 70945464

IUPAC(2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NCC[C@H](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)/t9-/m0/s1
InChIKeyKKYROSQVWFKZBY-VIFPVBQESA-N
MW308.36 g/mol
LogP-2.21
Rot. Bonds6

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

(2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid (PubChem CID 70945464) has the molecular formula C10H20N4O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
PubChem CID70945464
Molecular FormulaC10H20N4O5S
Molecular Weight308.36 g/mol
Exact Mass308.12
IUPAC Name(2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NCC[C@H](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)/t9-/m0/s1
InChIKeyKKYROSQVWFKZBY-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The IUPAC name of (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid (CID 70945464) is (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid.
What is the SMILES notation for (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The canonical SMILES for (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid is CC(=O)N1CCN(S(=O)(=O)NCC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
The InChIKey is KKYROSQVWFKZBY-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid?
(2S)-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 (2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid is sourced from PubChem (CID 70945464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).