2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C11H21NO6 — CID 87307730

IUPAC2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCCOCCOC(N)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO6/c1-5-16-6-7-17-11(12,8(13)14)9(15)18-10(2,3)4/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyICKYXJJRSJFHNH-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.12
Rot. Bonds7

About 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 87307730) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID87307730
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCCOCCOC(N)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO6/c1-5-16-6-7-17-11(12,8(13)14)9(15)18-10(2,3)4/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyICKYXJJRSJFHNH-UHFFFAOYSA-N
XLogP0.12
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
CID 135014585
3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid
CID 150661737
[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
CID 118088572
(2R)-2-amino-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 123944399
3-O-tert-butyl 1-O-ethyl 2-bromo-2-methylpropanedioate
CID 21329498
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 87307730) is 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CCOCCOC(N)(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is ICKYXJJRSJFHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-5-16-6-7-17-11(12,8(13)14)9(15)18-10(2,3)4/h5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 87307730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).