ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate

C11H23NO3 — CID 114448917

IUPACethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(C)(O)C(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)7-12(5)8-11(4,14)9(2)3/h9,14H,6-8H2,1-5H3
InChIKeyVLSPQJHAPDPRDP-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.89
Rot. Bonds6

About ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate

ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate (PubChem CID 114448917) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
PubChem CID114448917
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(C)(O)C(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)7-12(5)8-11(4,14)9(2)3/h9,14H,6-8H2,1-5H3
InChIKeyVLSPQJHAPDPRDP-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
CID 114448878
ethyl 4-[2,2-dimethylpropyl(methyl)amino]-3-oxobutanoate
CID 63897953
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
CID 114496570
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate (CID 114448917) is ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate is CCOC(=O)CN(C)CC(C)(O)C(C)C.
What is the InChIKey of ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate?
The InChIKey is VLSPQJHAPDPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-15-10(13)7-12(5)8-11(4,14)9(2)3/h9,14H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate?
ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate has a molecular weight of 217.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate is sourced from PubChem (CID 114448917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).