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

C10H21N3O4S — CID 174670459

IUPAC(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
SMILESN[C@@H](CCN(C1CCCCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-13(18(12,16)17)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,14,15)(H2,12,16,17)/t9-/m0/s1
InChIKeyAGIWSHKFJBIVMY-VIFPVBQESA-N
MW279.36 g/mol
LogP-0.37
Rot. Bonds6

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

(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid (PubChem CID 174670459) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
PubChem CID174670459
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
SMILESN[C@@H](CCN(C1CCCCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-13(18(12,16)17)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,14,15)(H2,12,16,17)/t9-/m0/s1
InChIKeyAGIWSHKFJBIVMY-VIFPVBQESA-N
XLogP-0.37
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]butanoic acid
CID 70945563
(2S)-2-amino-4-[[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]amino]butanoic acid
CID 70945565
(2S)-2-amino-4-(cyclohexylsulfamoylamino)butanoic acid
CID 70945655
2-Amino-4-(cyclohexylsulfamoylamino)butanoic acid
CID 70945659
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945795
2-Amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945797
(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid
CID 87289538
(2S)-2-amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid (CID 174670459) is (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid is N[C@@H](CCN(C1CCCCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The InChIKey is AGIWSHKFJBIVMY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-13(18(12,16)17)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,14,15)(H2,12,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid has a molecular weight of 279.36 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).