2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C11H21NO6 — CID 86054098

IUPAC2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC(CN(CC(=O)O)C(=O)OC(C)(C)C)OC
InChIInChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12(6-8(13)14)7-9(16-4)17-5/h9H,6-7H2,1-5H3,(H,13,14)
InChIKeyVAZXMIGHZNNHQL-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.93
Rot. Bonds6

About 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 86054098) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID86054098
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC(CN(CC(=O)O)C(=O)OC(C)(C)C)OC
InChIInChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12(6-8(13)14)7-9(16-4)17-5/h9H,6-7H2,1-5H3,(H,13,14)
InChIKeyVAZXMIGHZNNHQL-UHFFFAOYSA-N
XLogP0.93
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 86054098) is 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is COC(CN(CC(=O)O)C(=O)OC(C)(C)C)OC.
What is the InChIKey of 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is VAZXMIGHZNNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12(6-8(13)14)7-9(16-4)17-5/h9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 86054098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).