2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid

C13H25NO3 — CID 79934216

IUPAC2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid
SMILESCN(C1CC(C)(C)OC1(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-11(2)8-9(13(5,6)17-11)14(7)12(3,4)10(15)16/h9H,8H2,1-7H3,(H,15,16)
InChIKeyADWSVKGBEDNQRS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid

2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid (PubChem CID 79934216) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid
PubChem CID79934216
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid
SMILESCN(C1CC(C)(C)OC1(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-11(2)8-9(13(5,6)17-11)14(7)12(3,4)10(15)16/h9H,8H2,1-7H3,(H,15,16)
InChIKeyADWSVKGBEDNQRS-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpropanoic acid
CID 114623690
N-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-amine
CID 79926980
2-methyl-2-[methyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65060695
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
CID 114624336
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
CID 114621271
methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
CID 114623837
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 116522712
2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol
CID 114242927
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid
CID 114621031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid (CID 79934216) is 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid is CN(C1CC(C)(C)OC1(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid?
The InChIKey is ADWSVKGBEDNQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)8-9(13(5,6)17-11)14(7)12(3,4)10(15)16/h9H,8H2,1-7H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid?
2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 79934216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).