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

C14H24N2O4 — CID 102656029

IUPAC2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
SMILESCC1(OCC(=O)NC(C(=O)O)C2CCCCC2)CNC1
InChIInChI=1S/C14H24N2O4/c1-14(8-15-9-14)20-7-11(17)16-12(13(18)19)10-5-3-2-4-6-10/h10,12,15H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZVYFBGNKCUVNI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.51
Rot. Bonds6

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

2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid (PubChem CID 102656029) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
PubChem CID102656029
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
SMILESCC1(OCC(=O)NC(C(=O)O)C2CCCCC2)CNC1
InChIInChI=1S/C14H24N2O4/c1-14(8-15-9-14)20-7-11(17)16-12(13(18)19)10-5-3-2-4-6-10/h10,12,15H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZVYFBGNKCUVNI-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.51
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
2-cyclohexyl-2-[(2-piperidin-4-ylacetyl)amino]acetic acid
CID 61159791
2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560
N-(2-cyclopropylpropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611512
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
2-(3-methylazetidin-3-yl)oxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 102611541
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106161497
5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
CID 102656607
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid (CID 102656029) is 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid is CC1(OCC(=O)NC(C(=O)O)C2CCCCC2)CNC1.
What is the InChIKey of 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid?
The InChIKey is WZVYFBGNKCUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(8-15-9-14)20-7-11(17)16-12(13(18)19)10-5-3-2-4-6-10/h10,12,15H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid?
2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 102656029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).