methyl 2-[4-methoxybutanoyl(propyl)amino]acetate

C11H21NO4 — CID 78927223

IUPACmethyl 2-[4-methoxybutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCCOC
InChIInChI=1S/C11H21NO4/c1-4-7-12(9-11(14)16-3)10(13)6-5-8-15-2/h4-9H2,1-3H3
InChIKeyDZMIGMCKEJDYNE-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.82
Rot. Bonds8

About methyl 2-[4-methoxybutanoyl(propyl)amino]acetate

methyl 2-[4-methoxybutanoyl(propyl)amino]acetate (PubChem CID 78927223) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[4-methoxybutanoyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methoxybutanoyl(propyl)amino]acetate
PubChem CID78927223
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[4-methoxybutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCCOC
InChIInChI=1S/C11H21NO4/c1-4-7-12(9-11(14)16-3)10(13)6-5-8-15-2/h4-9H2,1-3H3
InChIKeyDZMIGMCKEJDYNE-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.82
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 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyl-propylamino]acetate
CID 61225273
methyl 4-methoxybutanoate
CID 542317
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
CID 107272868
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methoxybutanoyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[4-methoxybutanoyl(propyl)amino]acetate (CID 78927223) is methyl 2-[4-methoxybutanoyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[4-methoxybutanoyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[4-methoxybutanoyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)CCCOC.
What is the InChIKey of methyl 2-[4-methoxybutanoyl(propyl)amino]acetate?
The InChIKey is DZMIGMCKEJDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-7-12(9-11(14)16-3)10(13)6-5-8-15-2/h4-9H2,1-3H3.
What are the key properties of methyl 2-[4-methoxybutanoyl(propyl)amino]acetate?
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methoxybutanoyl(propyl)amino]acetate is sourced from PubChem (CID 78927223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).