methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate

C9H17NO5 — CID 62955024

IUPACmethyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)O
InChIInChI=1S/C9H17NO5/c1-7(11)4-10(5-8(12)14-2)6-9(13)15-3/h7,11H,4-6H2,1-3H3
InChIKeyQJGNLIRJUGCFQM-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.98
Rot. Bonds6

About methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955024) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955024
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)O
InChIInChI=1S/C9H17NO5/c1-7(11)4-10(5-8(12)14-2)6-9(13)15-3/h7,11H,4-6H2,1-3H3
InChIKeyQJGNLIRJUGCFQM-UHFFFAOYSA-N
XLogP-0.98
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 115873294
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
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-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955024) is methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC(C)O.
What is the InChIKey of methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is QJGNLIRJUGCFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(11)4-10(5-8(12)14-2)6-9(13)15-3/h7,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 219.24 g/mol, XLogP of -0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).