2-methyl-2-morpholin-4-ylpropanoate

C8H14NO3- — CID 25219445

IUPAC2-methyl-2-morpholin-4-ylpropanoate
SMILESCC(C)(C(=O)[O-])N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-8(2,7(10)11)9-3-5-12-6-4-9/h3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyZIYBQIQKOLIMKY-UHFFFAOYSA-M
MW172.20 g/mol
LogP-1.15
Rot. Bonds2

About 2-methyl-2-morpholin-4-ylpropanoate

2-methyl-2-morpholin-4-ylpropanoate (PubChem CID 25219445) has the molecular formula C8H14NO3- and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylpropanoate
PubChem CID25219445
Molecular FormulaC8H14NO3-
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-methyl-2-morpholin-4-ylpropanoate
SMILESCC(C)(C(=O)[O-])N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-8(2,7(10)11)9-3-5-12-6-4-9/h3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyZIYBQIQKOLIMKY-UHFFFAOYSA-M
XLogP-1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
N,2-dimethyl-2-morpholin-4-ylpropanamide
CID 59526666
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284
potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate
CID 68757651
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate
CID 21119130
2-morpholin-4-ylpropane-2-thiol
CID 139318537
CID 58998301
CID 58998301
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylpropanoate?
The IUPAC name of 2-methyl-2-morpholin-4-ylpropanoate (CID 25219445) is 2-methyl-2-morpholin-4-ylpropanoate.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylpropanoate?
The canonical SMILES for 2-methyl-2-morpholin-4-ylpropanoate is CC(C)(C(=O)[O-])N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylpropanoate?
The InChIKey is ZIYBQIQKOLIMKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO3/c1-8(2,7(10)11)9-3-5-12-6-4-9/h3-6H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 2-methyl-2-morpholin-4-ylpropanoate?
2-methyl-2-morpholin-4-ylpropanoate has a molecular weight of 172.20 g/mol, XLogP of -1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 25219445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).