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

C11H21NO5S — CID 119192819

IUPAC2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
SMILESCCCS(=O)(=O)CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO5S/c1-4-5-18(16,17)8-10(13)12(6-9(2)3)7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyFRMMRUUWZANFKD-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.38
Rot. Bonds8

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

2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid (PubChem CID 119192819) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
PubChem CID119192819
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
SMILESCCCS(=O)(=O)CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO5S/c1-4-5-18(16,17)8-10(13)12(6-9(2)3)7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyFRMMRUUWZANFKD-UHFFFAOYSA-N
XLogP0.38
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514
2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
CID 119206205
2-[benzyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119196802
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide
CID 78852670
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[cyclopropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119194760
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
CID 119205182

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid (CID 119192819) is 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid is CCCS(=O)(=O)CC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid?
The InChIKey is FRMMRUUWZANFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-4-5-18(16,17)8-10(13)12(6-9(2)3)7-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid?
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid has a molecular weight of 279.36 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid is sourced from PubChem (CID 119192819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).