2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid

C11H23NO4S — CID 63856773

IUPAC2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)5-6-17(15,16)12(7-10(3)4)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXHSSCRCNIWRSMF-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.40
Rot. Bonds8

About 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid

2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid (PubChem CID 63856773) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
PubChem CID63856773
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4S/c1-9(2)5-6-17(15,16)12(7-10(3)4)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXHSSCRCNIWRSMF-UHFFFAOYSA-N
XLogP1.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
CID 79269437
2-[2-methylpropyl(prop-2-enylsulfonyl)amino]acetic acid
CID 79673279
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63064138
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
CID 64552825
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid (CID 63856773) is 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid is CC(C)CCS(=O)(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid?
The InChIKey is XHSSCRCNIWRSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)5-6-17(15,16)12(7-10(3)4)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid?
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid has a molecular weight of 265.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63856773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).