2-[cyclohexyl(sulfo)amino]butanoic acid

C10H19NO5S — CID 90941699

IUPAC2-[cyclohexyl(sulfo)amino]butanoic acid
SMILESCCC(C(=O)O)N(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-9(10(12)13)11(17(14,15)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyUUEBKSYJUZSDPA-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.29
Rot. Bonds5

About 2-[cyclohexyl(sulfo)amino]butanoic acid

2-[cyclohexyl(sulfo)amino]butanoic acid (PubChem CID 90941699) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[cyclohexyl(sulfo)amino]butanoic acid.

Molecular Properties

Compound Name2-[cyclohexyl(sulfo)amino]butanoic acid
PubChem CID90941699
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[cyclohexyl(sulfo)amino]butanoic acid
SMILESCCC(C(=O)O)N(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C10H19NO5S/c1-2-9(10(12)13)11(17(14,15)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyUUEBKSYJUZSDPA-UHFFFAOYSA-N
XLogP1.29
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(sulfo)amino]butanoic acid?
The IUPAC name of 2-[cyclohexyl(sulfo)amino]butanoic acid (CID 90941699) is 2-[cyclohexyl(sulfo)amino]butanoic acid.
What is the SMILES notation for 2-[cyclohexyl(sulfo)amino]butanoic acid?
The canonical SMILES for 2-[cyclohexyl(sulfo)amino]butanoic acid is CCC(C(=O)O)N(C1CCCCC1)S(=O)(=O)O.
What is the InChIKey of 2-[cyclohexyl(sulfo)amino]butanoic acid?
The InChIKey is UUEBKSYJUZSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-9(10(12)13)11(17(14,15)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 2-[cyclohexyl(sulfo)amino]butanoic acid?
2-[cyclohexyl(sulfo)amino]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(sulfo)amino]butanoic acid is sourced from PubChem (CID 90941699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).