methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate

C11H21NO3 — CID 130671460

IUPACmethyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCCOC(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-9(10(13)14-4)12-6-5-7-15-11(2,3)8-12/h9H,5-8H2,1-4H3
InChIKeyNUSJZJOIDIPDLP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds2

About methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate

methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate (PubChem CID 130671460) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
PubChem CID130671460
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCCOC(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-9(10(13)14-4)12-6-5-7-15-11(2,3)8-12/h9H,5-8H2,1-4H3
InChIKeyNUSJZJOIDIPDLP-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine
CID 130678931
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
2-bromo-1-(2,2-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 131207158
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate
CID 64661671
methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
CID 103994008
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710389
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate (CID 130671460) is methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate is COC(=O)C(C)N1CCCOC(C)(C)C1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate?
The InChIKey is NUSJZJOIDIPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(10(13)14-4)12-6-5-7-15-11(2,3)8-12/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate?
methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate is sourced from PubChem (CID 130671460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).