2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride

C9H18ClNO3 — CID 126809365

IUPAC2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(C)(CN1CCOCC1)C(=O)O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeySAEHJDOZNRWMBH-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.85
Rot. Bonds3

About 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride

2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride (PubChem CID 126809365) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride
PubChem CID126809365
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(C)(CN1CCOCC1)C(=O)O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeySAEHJDOZNRWMBH-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Morpholin-4-yl)propanoic acid hydrochloride
CID 2760140
Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, alpha-methyl-, methyl ester
CID 89273
4-Morpholinepropanoic acid, methyl ester
CID 101373
3-(Morpholin-4-yl)propanoic acid
CID 410813
2-Methyl-3-morpholin-4-ylpropanoic acid hydrochloride
CID 6603192
2-Methyl-3-morpholin-4-ylpropanoic acid
CID 652896
Methyl 2-methyl-3-(4-morpholinyl)propanoate hydrochloride
CID 21155910
Methyl 3-morpholin-4-ylpropanoate;hydrochloride
CID 12425580
Methyl alpha-methyl-4-morpholinepropionate hydrochloride
CID 3084431
1-[(Morpholin-4-yl)methyl]cyclopropane-1-carboxylic acid hydrochloride
CID 167732122
Ethyl 2-Methyl-3-morpholinopropanoate
CID 4713790

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride (CID 126809365) is 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride is CC(C)(CN1CCOCC1)C(=O)O.Cl.
What is the InChIKey of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The InChIKey is SAEHJDOZNRWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);1H.
What are the key properties of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-morpholin-4-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 126809365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).