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

C10H19NO5 — CID 115873294

IUPACmethyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)CO
InChIInChI=1S/C10H19NO5/c1-8(7-12)4-11(5-9(13)15-2)6-10(14)16-3/h8,12H,4-7H2,1-3H3
InChIKeyHHIQXDGGOPLVKP-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.74
Rot. Bonds7

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

methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 115873294) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID115873294
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)CO
InChIInChI=1S/C10H19NO5/c1-8(7-12)4-11(5-9(13)15-2)6-10(14)16-3/h8,12H,4-7H2,1-3H3
InChIKeyHHIQXDGGOPLVKP-UHFFFAOYSA-N
XLogP-0.74
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
methyl 2-[2-cyanopropyl(propyl)amino]acetate
CID 62013506
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 115873294) is methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC(C)CO.
What is the InChIKey of methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is HHIQXDGGOPLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-8(7-12)4-11(5-9(13)15-2)6-10(14)16-3/h8,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 233.26 g/mol, XLogP of -0.74, 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-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 115873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).