methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate

C8H15NO5 — CID 21363021

IUPACmethyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate
SMILESCOC(=O)CNCCOCC(=O)OC
InChIInChI=1S/C8H15NO5/c1-12-7(10)5-9-3-4-14-6-8(11)13-2/h9H,3-6H2,1-2H3
InChIKeyJNMUQRKBKLGOEH-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.06
Rot. Bonds7

About methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate

methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate (PubChem CID 21363021) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate
PubChem CID21363021
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate
SMILESCOC(=O)CNCCOCC(=O)OC
InChIInChI=1S/C8H15NO5/c1-12-7(10)5-9-3-4-14-6-8(11)13-2/h9H,3-6H2,1-2H3
InChIKeyJNMUQRKBKLGOEH-UHFFFAOYSA-N
XLogP-1.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Diethyl iminodiacetate
CID 80502
2,5,8-Trioxa-11-azatridecan-13-oic acid
CID 10656594
Oxo-cryptand
CID 129654713
Ethyl 2-acetamido-2-acetyloxyacetate
CID 15173152
Ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate
CID 103235294
Ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate
CID 103251691
Ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate
CID 103260405
Ethyl 2-[2-[2-(2,2-difluoroethoxy)ethylamino]ethoxy]acetate
CID 105917423
Ethyl N-(ethoxy(oxo)acetyl)glycinate
CID 2779372
Methyl 2-[(2-ethoxyacetyl)amino]acetate
CID 3980701
(2-Methoxy-acetylamino)-acetic acid ethylester
CID 4777941
2-{2-[2-(Methylamino)ethoxy]ethoxy}acetic acid
CID 9855624

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate (CID 21363021) is methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate is COC(=O)CNCCOCC(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate?
The InChIKey is JNMUQRKBKLGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-12-7(10)5-9-3-4-14-6-8(11)13-2/h9H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate?
methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate has a molecular weight of 205.21 g/mol, XLogP of -1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate is sourced from PubChem (CID 21363021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).