2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride

C8H16ClNO3 — CID 90043742

IUPAC2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
SMILESCC(CC1COCCN1)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6(8(10)11)4-7-5-12-3-2-9-7;/h6-7,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyBELOLUOVXFUDPL-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.51
Rot. Bonds3

About 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride

2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride (PubChem CID 90043742) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
PubChem CID90043742
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
SMILESCC(CC1COCCN1)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6(8(10)11)4-7-5-12-3-2-9-7;/h6-7,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyBELOLUOVXFUDPL-UHFFFAOYSA-N
XLogP0.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
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2-[(3S)-morpholin-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride (CID 90043742) is 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride is CC(CC1COCCN1)C(=O)O.Cl.
What is the InChIKey of 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride?
The InChIKey is BELOLUOVXFUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-6(8(10)11)4-7-5-12-3-2-9-7;/h6-7,9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride?
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 90043742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).