[3-ethoxypropanoyl(methyl)amino] acetate

C8H15NO4 — CID 130369820

IUPAC[3-ethoxypropanoyl(methyl)amino] acetate
SMILESCCOCCC(=O)N(C)OC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-12-6-5-8(11)9(3)13-7(2)10/h4-6H2,1-3H3
InChIKeyMHHCKFBMIJTONS-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.35
Rot. Bonds4

About [3-ethoxypropanoyl(methyl)amino] acetate

[3-ethoxypropanoyl(methyl)amino] acetate (PubChem CID 130369820) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [3-ethoxypropanoyl(methyl)amino] acetate.

Molecular Properties

Compound Name[3-ethoxypropanoyl(methyl)amino] acetate
PubChem CID130369820
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[3-ethoxypropanoyl(methyl)amino] acetate
SMILESCCOCCC(=O)N(C)OC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-12-6-5-8(11)9(3)13-7(2)10/h4-6H2,1-3H3
InChIKeyMHHCKFBMIJTONS-UHFFFAOYSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[methyl(3-methylsulfanylpropanoyl)amino] acetate
CID 89286042
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
[(2-chloroacetyl)-methylamino] acetate
CID 87814077
[2-ethoxyethyl(ethyl)amino] acetate
CID 175476024
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
CID 62590846
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
[methyl(4-oxobutanoyl)amino] 3-(2-ethoxyethylamino)propanoate
CID 162740365
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
7-ethoxyheptane-2,4,5-trione
CID 19107179
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617

Frequently Asked Questions

What is the IUPAC name of [3-ethoxypropanoyl(methyl)amino] acetate?
The IUPAC name of [3-ethoxypropanoyl(methyl)amino] acetate (CID 130369820) is [3-ethoxypropanoyl(methyl)amino] acetate.
What is the SMILES notation for [3-ethoxypropanoyl(methyl)amino] acetate?
The canonical SMILES for [3-ethoxypropanoyl(methyl)amino] acetate is CCOCCC(=O)N(C)OC(C)=O.
What is the InChIKey of [3-ethoxypropanoyl(methyl)amino] acetate?
The InChIKey is MHHCKFBMIJTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-6-5-8(11)9(3)13-7(2)10/h4-6H2,1-3H3.
What are the key properties of [3-ethoxypropanoyl(methyl)amino] acetate?
[3-ethoxypropanoyl(methyl)amino] acetate has a molecular weight of 189.21 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxypropanoyl(methyl)amino] acetate is sourced from PubChem (CID 130369820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).