methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H21NO5 — CID 79355102

IUPACmethyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCC(C)(C)O)CC(=O)OC
InChIInChI=1S/C11H21NO5/c1-11(2,15)5-6-12(7-9(13)16-3)8-10(14)17-4/h15H,5-8H2,1-4H3
InChIKeyOIZIKQDNVSLVRQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.20
Rot. Bonds7

About methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 79355102) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID79355102
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCC(C)(C)O)CC(=O)OC
InChIInChI=1S/C11H21NO5/c1-11(2,15)5-6-12(7-9(13)16-3)8-10(14)17-4/h15H,5-8H2,1-4H3
InChIKeyOIZIKQDNVSLVRQ-UHFFFAOYSA-N
XLogP-0.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 106708104
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 79355102) is methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCC(C)(C)O)CC(=O)OC.
What is the InChIKey of methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is OIZIKQDNVSLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,15)5-6-12(7-9(13)16-3)8-10(14)17-4/h15H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 247.29 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 79355102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).