methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate

C15H29NO4 — CID 78958993

IUPACmethyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H29NO4/c1-12(15(2,3)4)11-13(17)16(9-10-19-5)8-7-14(18)20-6/h12H,7-11H2,1-6H3
InChIKeyODLKSZXIKNNPER-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.10
Rot. Bonds8

About methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate

methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate (PubChem CID 78958993) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
PubChem CID78958993
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H29NO4/c1-12(15(2,3)4)11-13(17)16(9-10-19-5)8-7-14(18)20-6/h12H,7-11H2,1-6H3
InChIKeyODLKSZXIKNNPER-UHFFFAOYSA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
CID 115534206
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
methyl 3-[(3-amino-2-methyl-3-sulfanylidenepropanoyl)-(2-methoxyethyl)amino]propanoate
CID 113330524
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566
methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959270
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate (CID 78958993) is methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate?
The InChIKey is ODLKSZXIKNNPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-12(15(2,3)4)11-13(17)16(9-10-19-5)8-7-14(18)20-6/h12H,7-11H2,1-6H3.
What are the key properties of methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate?
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate has a molecular weight of 287.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate is sourced from PubChem (CID 78958993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).