methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate

C10H19NO4 — CID 60697821

IUPACmethyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
SMILESCCCCOC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-5-6-15-10(13)8-11(2)7-9(12)14-3/h4-8H2,1-3H3
InChIKeyJOJLMFQALNZEAT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds7

About methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate

methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate (PubChem CID 60697821) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
PubChem CID60697821
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
SMILESCCCCOC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-5-6-15-10(13)8-11(2)7-9(12)14-3/h4-8H2,1-3H3
InChIKeyJOJLMFQALNZEAT-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[2-methoxyethyl(methyl)amino]acetate
CID 61067992
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
butyl 2-(dimethylamino)acetate;methane
CID 157088664
propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 118199886
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
10-O-butyl 1-O-methyl decanedioate
CID 22057000
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 83014680
3-butoxy-3-oxopropanoic acid
CID 21201188
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate (CID 60697821) is methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate is CCCCOC(=O)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate?
The InChIKey is JOJLMFQALNZEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-6-15-10(13)8-11(2)7-9(12)14-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate?
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate is sourced from PubChem (CID 60697821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).