2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride

C8H16ClNO3 — CID 47003124

IUPAC2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-8(2,7(10)11)9-3-5-12-6-4-9;/h3-6H2,1-2H3,(H,10,11);1H
InChIKeyZKCDVFRMCJGPSA-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.60
Rot. Bonds2

About 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride

2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride (PubChem CID 47003124) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride
PubChem CID47003124
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-8(2,7(10)11)9-3-5-12-6-4-9;/h3-6H2,1-2H3,(H,10,11);1H
InChIKeyZKCDVFRMCJGPSA-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride (CID 47003124) is 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride is CC(C)(C(=O)O)N1CCOCC1.Cl.
What is the InChIKey of 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride?
The InChIKey is ZKCDVFRMCJGPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-8(2,7(10)11)9-3-5-12-6-4-9;/h3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride?
2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 47003124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).