(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid

C6H16N4O4S — CID 87289538

IUPAC(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid
SMILESNCCN(CC[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H16N4O4S/c7-2-4-10(15(9,13)14)3-1-5(8)6(11)12/h5H,1-4,7-8H2,(H,11,12)(H2,9,13,14)/t5-/m0/s1
InChIKeyAMJPGMXVVLUWNT-YFKPBYRVSA-N
MW240.28 g/mol
LogP-2.75
Rot. Bonds7

About (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid

(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid (PubChem CID 87289538) has the molecular formula C6H16N4O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid
PubChem CID87289538
Molecular FormulaC6H16N4O4S
Molecular Weight240.28 g/mol
Exact Mass240.09
IUPAC Name(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid
SMILESNCCN(CC[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H16N4O4S/c7-2-4-10(15(9,13)14)3-1-5(8)6(11)12/h5H,1-4,7-8H2,(H,11,12)(H2,9,13,14)/t5-/m0/s1
InChIKeyAMJPGMXVVLUWNT-YFKPBYRVSA-N
XLogP-2.75
TPSA152.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-2.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 123398581
(2S)-2-amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 144190614
(2S)-2-amino-4-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 12182633
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154518
2-Amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154519
(2S)-2-amino-4-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]butanoic acid
CID 67154946
(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
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid (CID 87289538) is (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid is NCCN(CC[C@H](N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid?
The InChIKey is AMJPGMXVVLUWNT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H16N4O4S/c7-2-4-10(15(9,13)14)3-1-5(8)6(11)12/h5H,1-4,7-8H2,(H,11,12)(H2,9,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid?
(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid has a molecular weight of 240.28 g/mol, XLogP of -2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 87289538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).