2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

C15H29NO3 — CID 118259810

IUPAC2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCC(C)(C)COC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C15H29NO3/c1-14(2,3)12-19-13(17)15(4,5)6-7-16-8-10-18-11-9-16/h6-12H2,1-5H3
InChIKeyHOJRFPZLNZSWJH-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.32
Rot. Bonds5

About 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (PubChem CID 118259810) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
PubChem CID118259810
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCC(C)(C)COC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C15H29NO3/c1-14(2,3)12-19-13(17)15(4,5)6-7-16-8-10-18-11-9-16/h6-12H2,1-5H3
InChIKeyHOJRFPZLNZSWJH-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxymethylsulfanyl-methoxyphosphinic acid
CID 145397603
2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134417479
2-[[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxy]phosphoryl]amino]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 135276580
2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118262907
2-(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxyethylsulfanyl-N-methylphosphonamidous acid
CID 145237039
2-[bis(3-methylpentan-3-yloxy)phosphoryloxy]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 139303195
ethyl 2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanoate
CID 62974765
2,2-dimethyl-4-morpholin-4-ylbutanethioamide
CID 65247018
2-[(2-methylpropan-2-yl)oxy-methylsulfanylphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 126560039
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The IUPAC name of 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (CID 118259810) is 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.
What is the SMILES notation for 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The canonical SMILES for 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is CC(C)(C)COC(=O)C(C)(C)CCN1CCOCC1.
What is the InChIKey of 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The InChIKey is HOJRFPZLNZSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,3)12-19-13(17)15(4,5)6-7-16-8-10-18-11-9-16/h6-12H2,1-5H3.
What are the key properties of 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate has a molecular weight of 271.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 118259810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).