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

C10H21N3O4S — CID 174670460

IUPAC2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
SMILESNC(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)
InChIKeyAGIWSHKFJBIVMY-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.37
Rot. Bonds6

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

2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid (PubChem CID 174670460) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
PubChem CID174670460
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
SMILESNC(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)
InChIKeyAGIWSHKFJBIVMY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid (CID 174670460) is 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid is NC(CCN(C1CCCCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
The InChIKey is AGIWSHKFJBIVMY-UHFFFAOYSA-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).
What are the key properties of 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid?
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 2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).