2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid

C10H16N2O6 — CID 102656442

IUPAC2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
SMILESCC1(OCC(=O)NC(CC(=O)O)C(=O)O)CNC1
InChIInChI=1S/C10H16N2O6/c1-10(4-11-5-10)18-3-7(13)12-6(9(16)17)2-8(14)15/h6,11H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyZWGKANFGHYCCHF-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.59
Rot. Bonds7

About 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid

2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid (PubChem CID 102656442) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
PubChem CID102656442
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
SMILESCC1(OCC(=O)NC(CC(=O)O)C(=O)O)CNC1
InChIInChI=1S/C10H16N2O6/c1-10(4-11-5-10)18-3-7(13)12-6(9(16)17)2-8(14)15/h6,11H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyZWGKANFGHYCCHF-UHFFFAOYSA-N
XLogP-1.59
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(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
5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
CID 102656607
2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656029
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
2-(3-methylazetidin-3-yl)oxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 102611643
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106161497
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid?
The IUPAC name of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid (CID 102656442) is 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid?
The canonical SMILES for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid is CC1(OCC(=O)NC(CC(=O)O)C(=O)O)CNC1.
What is the InChIKey of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid?
The InChIKey is ZWGKANFGHYCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-10(4-11-5-10)18-3-7(13)12-6(9(16)17)2-8(14)15/h6,11H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid?
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid has a molecular weight of 260.25 g/mol, XLogP of -1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid is sourced from PubChem (CID 102656442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).