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

C9H17NO3 — CID 21465515

IUPAC2,2-dimethyl-3-morpholin-4-ylpropanoic acid
SMILESCC(C)(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,8(11)12)7-10-3-5-13-6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyGQXYOUIPSRYOPE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds3

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

2,2-dimethyl-3-morpholin-4-ylpropanoic acid (PubChem CID 21465515) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-morpholin-4-ylpropanoic acid
PubChem CID21465515
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2,2-dimethyl-3-morpholin-4-ylpropanoic acid
SMILESCC(C)(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,8(11)12)7-10-3-5-13-6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyGQXYOUIPSRYOPE-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
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
Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
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 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanoate
CID 294572
Methyl alpha-methyl-4-morpholinepropionate hydrochloride
CID 3084431

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid (CID 21465515) is 2,2-dimethyl-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-morpholin-4-ylpropanoic acid is CC(C)(CN1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid?
The InChIKey is GQXYOUIPSRYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,8(11)12)7-10-3-5-13-6-4-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-morpholin-4-ylpropanoic acid?
2,2-dimethyl-3-morpholin-4-ylpropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 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 is sourced from PubChem (CID 21465515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).