oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride

C9H18ClNO4 — CID 122539256

IUPACoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
SMILESCC(C)(O)C(N)C(=O)OC1CCOC1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6;/h6-7,12H,3-5,10H2,1-2H3;1H
InChIKeyTZAYGZLNJHMPSZ-UHFFFAOYSA-N
MW239.70 g/mol
LogP-0.16
Rot. Bonds3

About oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride

oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride (PubChem CID 122539256) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
PubChem CID122539256
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Nameoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
SMILESCC(C)(O)C(N)C(=O)OC1CCOC1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6;/h6-7,12H,3-5,10H2,1-2H3;1H
InChIKeyTZAYGZLNJHMPSZ-UHFFFAOYSA-N
XLogP-0.16
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride?
The IUPAC name of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride (CID 122539256) is oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride.
What is the SMILES notation for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride?
The canonical SMILES for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride is CC(C)(O)C(N)C(=O)OC1CCOC1.Cl.
What is the InChIKey of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride?
The InChIKey is TZAYGZLNJHMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6;/h6-7,12H,3-5,10H2,1-2H3;1H.
What are the key properties of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride?
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 122539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).