2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid

C11H23NO3 — CID 115001724

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)CC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)7-12(5)11(4,8-15-6)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyUBPBBNJNWDJMOD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.45
Rot. Bonds5

About 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid

2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115001724) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115001724
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)CC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)7-12(5)11(4,8-15-6)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyUBPBBNJNWDJMOD-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid (CID 115001724) is 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)N(C)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is UBPBBNJNWDJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,3)7-12(5)11(4,8-15-6)9(13)14/h7-8H2,1-6H3,(H,13,14).
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115001724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).