methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate

C10H19NO4 — CID 62590846

IUPACmethyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
SMILESCCOCCC(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-15-8-6-9(12)11(2)7-5-10(13)14-3/h4-8H2,1-3H3
InChIKeyOPYRCKDVFDVHQX-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds7

About methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate

methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate (PubChem CID 62590846) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
PubChem CID62590846
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
SMILESCCOCCC(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-15-8-6-9(12)11(2)7-5-10(13)14-3/h4-8H2,1-3H3
InChIKeyOPYRCKDVFDVHQX-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
methyl 4-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoate
CID 103209822
methyl 3-[methyl(3-methylbutanoyl)amino]propanoate
CID 61028943
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
CID 88953672
CID 88953672
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
methyl 3-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-methylamino]propanoate
CID 54980303

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate (CID 62590846) is methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate is CCOCCC(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate?
The InChIKey is OPYRCKDVFDVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-15-8-6-9(12)11(2)7-5-10(13)14-3/h4-8H2,1-3H3.
What are the key properties of methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate?
methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 62590846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).