2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid

C11H23NO4S — CID 106727514

IUPAC2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
SMILESCCCS(=O)(=O)CCN(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4S/c1-4-6-17(15,16)7-5-12(8-10(2)3)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyZAYIUCXCJOKOMR-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.85
Rot. Bonds9

About 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid

2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid (PubChem CID 106727514) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
PubChem CID106727514
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
SMILESCCCS(=O)(=O)CCN(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4S/c1-4-6-17(15,16)7-5-12(8-10(2)3)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyZAYIUCXCJOKOMR-UHFFFAOYSA-N
XLogP0.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
CID 63065219
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
CID 63931982
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid (CID 106727514) is 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid is CCCS(=O)(=O)CCN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid?
The InChIKey is ZAYIUCXCJOKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-6-17(15,16)7-5-12(8-10(2)3)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid?
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid has a molecular weight of 265.37 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid is sourced from PubChem (CID 106727514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).