5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid

C14H26N2O4 — CID 102656607

IUPAC5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)6-10(5-12(18)19)16-11(17)7-20-14(4)8-15-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHZNXPKYIPQUHIU-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds7

About 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid

5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid (PubChem CID 102656607) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
PubChem CID102656607
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)6-10(5-12(18)19)16-11(17)7-20-14(4)8-15-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHZNXPKYIPQUHIU-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656234
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
CID 102656504
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656490
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
2-(3-methylazetidin-3-yl)oxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 102611643

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid (CID 102656607) is 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid is CC(C)(C)CC(CC(=O)O)NC(=O)COC1(C)CNC1.
What is the InChIKey of 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid?
The InChIKey is HZNXPKYIPQUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)6-10(5-12(18)19)16-11(17)7-20-14(4)8-15-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid?
5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid is sourced from PubChem (CID 102656607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).