methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate

C12H25NO3 — CID 159132677

IUPACmethane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
SMILESC.CC(C)(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C11H21NO3.CH4/c1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12;/h4-9H2,1-3H3;1H4
InChIKeyKHCGAUFHKCGDFG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.54
Rot. Bonds3

About methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate

methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate (PubChem CID 159132677) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
PubChem CID159132677
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
SMILESC.CC(C)(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C11H21NO3.CH4/c1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12;/h4-9H2,1-3H3;1H4
InChIKeyKHCGAUFHKCGDFG-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
CID 166930136
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
tert-butyl 2-phenylbenzimidazole-1-carboxylate;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 163683302

Frequently Asked Questions

What is the IUPAC name of methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate?
The IUPAC name of methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate (CID 159132677) is methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate.
What is the SMILES notation for methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate?
The canonical SMILES for methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate is C.CC(C)(C)C(=O)OCCN1CCOCC1.
What is the InChIKey of methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate?
The InChIKey is KHCGAUFHKCGDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.CH4/c1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12;/h4-9H2,1-3H3;1H4.
What are the key properties of methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate?
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate has a molecular weight of 231.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 159132677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).