2-ethoxyethyl 4-amino-3-hydroxybutanoate

C8H17NO4 — CID 87708403

IUPAC2-ethoxyethyl 4-amino-3-hydroxybutanoate
SMILESCCOCCOC(=O)CC(O)CN
InChIInChI=1S/C8H17NO4/c1-2-12-3-4-13-8(11)5-7(10)6-9/h7,10H,2-6,9H2,1H3
InChIKeyTXRRLVZUCCCMJR-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.72
Rot. Bonds7

About 2-ethoxyethyl 4-amino-3-hydroxybutanoate

2-ethoxyethyl 4-amino-3-hydroxybutanoate (PubChem CID 87708403) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethoxyethyl 4-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-amino-3-hydroxybutanoate
PubChem CID87708403
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-ethoxyethyl 4-amino-3-hydroxybutanoate
SMILESCCOCCOC(=O)CC(O)CN
InChIInChI=1S/C8H17NO4/c1-2-12-3-4-13-8(11)5-7(10)6-9/h7,10H,2-6,9H2,1H3
InChIKeyTXRRLVZUCCCMJR-UHFFFAOYSA-N
XLogP-0.72
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-amino-3-hydroxybutanoate?
The IUPAC name of 2-ethoxyethyl 4-amino-3-hydroxybutanoate (CID 87708403) is 2-ethoxyethyl 4-amino-3-hydroxybutanoate.
What is the SMILES notation for 2-ethoxyethyl 4-amino-3-hydroxybutanoate?
The canonical SMILES for 2-ethoxyethyl 4-amino-3-hydroxybutanoate is CCOCCOC(=O)CC(O)CN.
What is the InChIKey of 2-ethoxyethyl 4-amino-3-hydroxybutanoate?
The InChIKey is TXRRLVZUCCCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-12-3-4-13-8(11)5-7(10)6-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 2-ethoxyethyl 4-amino-3-hydroxybutanoate?
2-ethoxyethyl 4-amino-3-hydroxybutanoate has a molecular weight of 191.23 g/mol, XLogP of -0.72, 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-hydroxybutanoate is sourced from PubChem (CID 87708403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).