2-(methylamino)-4-(oxan-4-yloxy)butanoic acid

C10H19NO4 — CID 63040373

IUPAC2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
SMILESCNC(CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-11-9(10(12)13)4-7-15-8-2-5-14-6-3-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHJMWGAUWLYHWLC-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds6

About 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid

2-(methylamino)-4-(oxan-4-yloxy)butanoic acid (PubChem CID 63040373) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
PubChem CID63040373
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
SMILESCNC(CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-11-9(10(12)13)4-7-15-8-2-5-14-6-3-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHJMWGAUWLYHWLC-UHFFFAOYSA-N
XLogP0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63557695
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119943226
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
CID 63040806
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid?
The IUPAC name of 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid (CID 63040373) is 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid?
The canonical SMILES for 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid is CNC(CCOC1CCOCC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid?
The InChIKey is HJMWGAUWLYHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-11-9(10(12)13)4-7-15-8-2-5-14-6-3-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid?
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(oxan-4-yloxy)butanoic acid is sourced from PubChem (CID 63040373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).