2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

C11H23NO3 — CID 81057064

IUPAC2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
SMILESCC(C)OCCN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)15-7-6-12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyZCQDBXKLQUKWHG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.45
Rot. Bonds7

About 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid (PubChem CID 81057064) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
PubChem CID81057064
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
SMILESCC(C)OCCN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)15-7-6-12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyZCQDBXKLQUKWHG-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 81062792
2-methyl-2-(methylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81065082
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
CID 81074286
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
CID 81074892
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
CID 81057198
3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid (CID 81057064) is 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid is CC(C)OCCN(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The InChIKey is ZCQDBXKLQUKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)15-7-6-12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid is sourced from PubChem (CID 81057064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).