2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid

C11H21NO4 — CID 115144476

IUPAC2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid
SMILESCN(CCC(C)(C)C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)5-6-12(4)8(10(15)16)7-9(13)14/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyYJDBFNQGHSEBPZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds6

About 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid

2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid (PubChem CID 115144476) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid
PubChem CID115144476
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid
SMILESCN(CCC(C)(C)C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)5-6-12(4)8(10(15)16)7-9(13)14/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyYJDBFNQGHSEBPZ-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid?
The IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid (CID 115144476) is 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid.
What is the SMILES notation for 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid?
The canonical SMILES for 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid is CN(CCC(C)(C)C)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid?
The InChIKey is YJDBFNQGHSEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)5-6-12(4)8(10(15)16)7-9(13)14/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid?
2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid has a molecular weight of 231.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid is sourced from PubChem (CID 115144476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).