2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid

C8H15NO6 — CID 169225729

IUPAC2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
SMILESCCOCCOCC(N)(C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO6/c1-2-14-3-4-15-5-8(9,6(10)11)7(12)13/h2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVZDBVFWYFXZLOH-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.09
Rot. Bonds8

About 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid

2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid (PubChem CID 169225729) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
PubChem CID169225729
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
SMILESCCOCCOCC(N)(C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO6/c1-2-14-3-4-15-5-8(9,6(10)11)7(12)13/h2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVZDBVFWYFXZLOH-UHFFFAOYSA-N
XLogP-1.09
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
CID 90299737
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 87307730

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid?
The IUPAC name of 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid (CID 169225729) is 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid.
What is the SMILES notation for 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid?
The canonical SMILES for 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid is CCOCCOCC(N)(C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid?
The InChIKey is VZDBVFWYFXZLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c1-2-14-3-4-15-5-8(9,6(10)11)7(12)13/h2-5,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid?
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid has a molecular weight of 221.21 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid is sourced from PubChem (CID 169225729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).