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

C10H18N2O4 — CID 102656072

IUPAC2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid
SMILESCC1(OCC(=O)NC(C)(C)C(=O)O)CNC1
InChIInChI=1S/C10H18N2O4/c1-9(2,8(14)15)12-7(13)4-16-10(3)5-11-6-10/h11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJLLDIKLQTZYYBD-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.66
Rot. Bonds5

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

2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid (PubChem CID 102656072) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid
PubChem CID102656072
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid
SMILESCC1(OCC(=O)NC(C)(C)C(=O)O)CNC1
InChIInChI=1S/C10H18N2O4/c1-9(2,8(14)15)12-7(13)4-16-10(3)5-11-6-10/h11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJLLDIKLQTZYYBD-UHFFFAOYSA-N
XLogP-0.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid (CID 102656072) is 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid is CC1(OCC(=O)NC(C)(C)C(=O)O)CNC1.
What is the InChIKey of 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid?
The InChIKey is JLLDIKLQTZYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-9(2,8(14)15)12-7(13)4-16-10(3)5-11-6-10/h11H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid?
2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid is sourced from PubChem (CID 102656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).