methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate

C11H21NO3 — CID 116910252

IUPACmethyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
SMILESCOC(=O)CC(C1CCOCC1)N(C)C
InChIInChI=1S/C11H21NO3/c1-12(2)10(8-11(13)14-3)9-4-6-15-7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyJTRGIFWMGRXXMV-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.91
Rot. Bonds4

About methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate

methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate (PubChem CID 116910252) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
PubChem CID116910252
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
SMILESCOC(=O)CC(C1CCOCC1)N(C)C
InChIInChI=1S/C11H21NO3/c1-12(2)10(8-11(13)14-3)9-4-6-15-7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyJTRGIFWMGRXXMV-UHFFFAOYSA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(dimethylamino)-4-(oxan-4-yl)butanoate
CID 116910321
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
CID 64528543
methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
CID 65235068
methyl 3-(oxan-4-ylsulfanyl)butanoate
CID 62996938
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
2-chloro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
CID 116907498
methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
CID 115123249
3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
CID 116910000
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
CID 116905634
methyl 3-(oxan-4-yl)propanoate
CID 55296577

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate (CID 116910252) is methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate is COC(=O)CC(C1CCOCC1)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate?
The InChIKey is JTRGIFWMGRXXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(2)10(8-11(13)14-3)9-4-6-15-7-5-9/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate?
methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 116910252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).