2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid

C13H26N2O3 — CID 55226445

IUPAC2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
SMILESCNC(C)(CCN(C)CC1CCCOC1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)6-7-15(3)9-11-5-4-8-18-10-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyNHCAMFDZAQVWJK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.80
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid

2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid (PubChem CID 55226445) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
PubChem CID55226445
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
SMILESCNC(C)(CCN(C)CC1CCCOC1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)6-7-15(3)9-11-5-4-8-18-10-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyNHCAMFDZAQVWJK-UHFFFAOYSA-N
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 63711953
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid (CID 55226445) is 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid is CNC(C)(CCN(C)CC1CCCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid?
The InChIKey is NHCAMFDZAQVWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(14-2,12(16)17)6-7-15(3)9-11-5-4-8-18-10-11/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid?
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 55226445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).