(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid

C10H24N4O4S — CID 89123898

IUPAC(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H24N4O4S/c1-13(2)7-4-8-14(3)19(17,18)12-6-5-9(11)10(15)16/h9,12H,4-8,11H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyOFTBMJZMVMPOCK-VIFPVBQESA-N
MW296.39 g/mol
LogP-1.49
Rot. Bonds10

About (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid

(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid (PubChem CID 89123898) has the molecular formula C10H24N4O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
PubChem CID89123898
Molecular FormulaC10H24N4O4S
Molecular Weight296.39 g/mol
Exact Mass296.15
IUPAC Name(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H24N4O4S/c1-13(2)7-4-8-14(3)19(17,18)12-6-5-9(11)10(15)16/h9,12H,4-8,11H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyOFTBMJZMVMPOCK-VIFPVBQESA-N
XLogP-1.49
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
2-Amino-4-[di(propan-2-yl)amino]butanoic acid
CID 12833059
2-Amino-4-(dimethylamino)butanoic acid
CID 13040926
2-Amino-4-(diethylamino)butanoic acid
CID 24689443
(2S)-2-Amino-4-(diethylamino)butanoic acid
CID 28169010
(2R)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175920
2-Amino-4-[ethyl(propyl)amino]butanoic acid
CID 63027675
2-Amino-4-[ethyl(methyl)amino]butanoic acid
CID 63030178
(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-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid (CID 89123898) is (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid is CN(C)CCCN(C)S(=O)(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid?
The InChIKey is OFTBMJZMVMPOCK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H24N4O4S/c1-13(2)7-4-8-14(3)19(17,18)12-6-5-9(11)10(15)16/h9,12H,4-8,11H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid?
(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid has a molecular weight of 296.39 g/mol, XLogP of -1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid is sourced from PubChem (CID 89123898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).