methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate

C10H19NO4 — CID 54310204

IUPACmethyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate
SMILESCOC(=O)CCCNCCCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-14-9(12)5-3-7-11-8-4-6-10(13)15-2/h11H,3-8H2,1-2H3
InChIKeySKIOELDYXVTFGW-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds8

About methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate

methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate (PubChem CID 54310204) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate
PubChem CID54310204
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate
SMILESCOC(=O)CCCNCCCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-14-9(12)5-3-7-11-8-4-6-10(13)15-2/h11H,3-8H2,1-2H3
InChIKeySKIOELDYXVTFGW-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate?
The IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate (CID 54310204) is methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate?
The canonical SMILES for methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate is COC(=O)CCCNCCCC(=O)OC.
What is the InChIKey of methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate?
The InChIKey is SKIOELDYXVTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-9(12)5-3-7-11-8-4-6-10(13)15-2/h11H,3-8H2,1-2H3.
What are the key properties of methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate?
methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate is sourced from PubChem (CID 54310204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).