2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid

C11H19NO4 — CID 61278166

IUPAC2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid
SMILESCOCC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-16-7-9(13)12-10(11(14)15)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJTPUYPFOEUEKQE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds5

About 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid

2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid (PubChem CID 61278166) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid
PubChem CID61278166
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid
SMILESCOCC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-16-7-9(13)12-10(11(14)15)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJTPUYPFOEUEKQE-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid (CID 61278166) is 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid is COCC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid?
The InChIKey is JTPUYPFOEUEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-7-9(13)12-10(11(14)15)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid?
2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methoxyacetyl)amino]acetic acid is sourced from PubChem (CID 61278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).