2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate

C10H21NO4 — CID 66000998

IUPAC2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCCOCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C10H21NO4/c1-3-4-14-5-6-15-9(12)7-10(2,13)8-11/h13H,3-8,11H2,1-2H3
InChIKeyWVAYHNKFAGXHQL-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.06
Rot. Bonds8

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

2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66000998) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66000998
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCCOCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C10H21NO4/c1-3-4-14-5-6-15-9(12)7-10(2,13)8-11/h13H,3-8,11H2,1-2H3
InChIKeyWVAYHNKFAGXHQL-UHFFFAOYSA-N
XLogP0.06
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.06
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-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate (CID 66000998) is 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate is CCCOCCOC(=O)CC(C)(O)CN.
What is the InChIKey of 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is WVAYHNKFAGXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-4-14-5-6-15-9(12)7-10(2,13)8-11/h13H,3-8,11H2,1-2H3.
What are the key properties of 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate?
2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 219.28 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66000998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).