2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate

C9H19NO4 — CID 66002390

IUPAC2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCOCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C9H19NO4/c1-3-13-4-5-14-8(11)6-9(2,12)7-10/h12H,3-7,10H2,1-2H3
InChIKeyFLUMJZCWXKGROW-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.33
Rot. Bonds7

About 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate

2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66002390) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66002390
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCOCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C9H19NO4/c1-3-13-4-5-14-8(11)6-9(2,12)7-10/h12H,3-7,10H2,1-2H3
InChIKeyFLUMJZCWXKGROW-UHFFFAOYSA-N
XLogP-0.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66001793
4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66003374
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate (CID 66002390) is 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate is CCOCCOC(=O)CC(C)(O)CN.
What is the InChIKey of 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is FLUMJZCWXKGROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-13-4-5-14-8(11)6-9(2,12)7-10/h12H,3-7,10H2,1-2H3.
What are the key properties of 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 205.25 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66002390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).