(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid

C8H18N4O4S — CID 70944788

IUPAC(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H18N4O4S/c9-7(8(13)14)1-2-11-17(15,16)12-5-3-10-4-6-12/h7,10-11H,1-6,9H2,(H,13,14)/t7-/m0/s1
InChIKeyUOGYIWDMGJZWIL-ZETCQYMHSA-N
MW266.32 g/mol
LogP-2.47
Rot. Bonds6

About (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid

(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid (PubChem CID 70944788) has the molecular formula C8H18N4O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
PubChem CID70944788
Molecular FormulaC8H18N4O4S
Molecular Weight266.32 g/mol
Exact Mass266.10
IUPAC Name(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H18N4O4S/c9-7(8(13)14)1-2-11-17(15,16)12-5-3-10-4-6-12/h7,10-11H,1-6,9H2,(H,13,14)/t7-/m0/s1
InChIKeyUOGYIWDMGJZWIL-ZETCQYMHSA-N
XLogP-2.47
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid (CID 70944788) is (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid?
The InChIKey is UOGYIWDMGJZWIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N4O4S/c9-7(8(13)14)1-2-11-17(15,16)12-5-3-10-4-6-12/h7,10-11H,1-6,9H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid?
(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid has a molecular weight of 266.32 g/mol, XLogP of -2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 70944788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).