2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid

C11H22N2O3 — CID 63712672

IUPAC2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
SMILESCN(CC1CCCOC1)CC(C)(N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(12,10(14)15)8-13(2)6-9-4-3-5-16-7-9/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyLLJJQQHWVQCOJT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.15
Rot. Bonds5

About 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid

2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid (PubChem CID 63712672) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
PubChem CID63712672
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
SMILESCN(CC1CCCOC1)CC(C)(N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(12,10(14)15)8-13(2)6-9-4-3-5-16-7-9/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyLLJJQQHWVQCOJT-UHFFFAOYSA-N
XLogP0.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 64789409
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid (CID 63712672) is 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid is CN(CC1CCCOC1)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid?
The InChIKey is LLJJQQHWVQCOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(12,10(14)15)8-13(2)6-9-4-3-5-16-7-9/h9H,3-8,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid?
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 63712672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).