methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate

C9H17NO6 — CID 21363023

IUPACmethyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
SMILESCOC(=O)COCCN(CO)CC(=O)OC
InChIInChI=1S/C9H17NO6/c1-14-8(12)5-10(7-11)3-4-16-6-9(13)15-2/h11H,3-7H2,1-2H3
InChIKeyNOMWUTYABCJTQS-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.40
Rot. Bonds8

About methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate

methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate (PubChem CID 21363023) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
PubChem CID21363023
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Namemethyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
SMILESCOC(=O)COCCN(CO)CC(=O)OC
InChIInChI=1S/C9H17NO6/c1-14-8(12)5-10(7-11)3-4-16-6-9(13)15-2/h11H,3-7H2,1-2H3
InChIKeyNOMWUTYABCJTQS-UHFFFAOYSA-N
XLogP-1.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate?
The IUPAC name of methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate (CID 21363023) is methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate is COC(=O)COCCN(CO)CC(=O)OC.
What is the InChIKey of methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate?
The InChIKey is NOMWUTYABCJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-14-8(12)5-10(7-11)3-4-16-6-9(13)15-2/h11H,3-7H2,1-2H3.
What are the key properties of methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate?
methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate has a molecular weight of 235.24 g/mol, XLogP of -1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate is sourced from PubChem (CID 21363023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).