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

C11H22N2O3 — CID 63054217

IUPAC2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
SMILESCNC(CCN(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)15)3-6-13(2)9-4-7-16-8-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyWFBPDSHIXIYSFX-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds6

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

2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid (PubChem CID 63054217) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
PubChem CID63054217
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
SMILESCNC(CCN(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)15)3-6-13(2)9-4-7-16-8-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyWFBPDSHIXIYSFX-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
CID 144600556
2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide
CID 59205286
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
2-(ethylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64797948
2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82743246
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
CID 118374751
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid?
The IUPAC name of 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid (CID 63054217) is 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid?
The canonical SMILES for 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid is CNC(CCN(C)C1CCOCC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid?
The InChIKey is WFBPDSHIXIYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-10(11(14)15)3-6-13(2)9-4-7-16-8-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid?
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid is sourced from PubChem (CID 63054217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).