[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate

C14H25NO3 — CID 78832861

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
SMILESCC(C)CN1CCOC(COC(=O)C2CCC2)C1
InChIInChI=1S/C14H25NO3/c1-11(2)8-15-6-7-17-13(9-15)10-18-14(16)12-4-3-5-12/h11-13H,3-10H2,1-2H3
InChIKeyYXRJKAQZTYEEAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.69
Rot. Bonds5

About [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate

[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate (PubChem CID 78832861) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
PubChem CID78832861
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
SMILESCC(C)CN1CCOC(COC(=O)C2CCC2)C1
InChIInChI=1S/C14H25NO3/c1-11(2)8-15-6-7-17-13(9-15)10-18-14(16)12-4-3-5-12/h11-13H,3-10H2,1-2H3
InChIKeyYXRJKAQZTYEEAZ-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
CID 95344412
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 78831849
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
methyl 1-[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253671
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 161456094
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate (CID 78832861) is [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate is CC(C)CN1CCOC(COC(=O)C2CCC2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate?
The InChIKey is YXRJKAQZTYEEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)8-15-6-7-17-13(9-15)10-18-14(16)12-4-3-5-12/h11-13H,3-10H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate?
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate is sourced from PubChem (CID 78832861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).