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

C11H22N2O3 — CID 63711106

IUPAC2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
SMILESCNC(CN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)15)8-13(2)7-9-3-5-16-6-4-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyMCUPWUXDAHPFCU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.02
Rot. Bonds6

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

2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid (PubChem CID 63711106) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
PubChem CID63711106
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
SMILESCNC(CN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)15)8-13(2)7-9-3-5-16-6-4-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyMCUPWUXDAHPFCU-UHFFFAOYSA-N
XLogP0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55227210
2-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 63866270
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 115256306
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid (CID 63711106) is 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid is CNC(CN(C)CC1CCOCC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid?
The InChIKey is MCUPWUXDAHPFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-10(11(14)15)8-13(2)7-9-3-5-16-6-4-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid?
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 63711106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).