methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate

C14H25NO4 — CID 65160354

IUPACmethyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H25NO4/c1-9-10(2)19-11(3)13(9)14(17)15(4)8-6-7-12(16)18-5/h9-11,13H,6-8H2,1-5H3
InChIKeyBQTHBOQHYKWMEW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.46
Rot. Bonds5

About methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate

methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate (PubChem CID 65160354) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
PubChem CID65160354
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H25NO4/c1-9-10(2)19-11(3)13(9)14(17)15(4)8-6-7-12(16)18-5/h9-11,13H,6-8H2,1-5H3
InChIKeyBQTHBOQHYKWMEW-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
CID 65160102
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
methyl 4-[adamantane-2-carbonyl(methyl)amino]butanoate
CID 78915778
methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
CID 65160300
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
CID 79345501
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate (CID 65160354) is methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate?
The InChIKey is BQTHBOQHYKWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-10(2)19-11(3)13(9)14(17)15(4)8-6-7-12(16)18-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate?
methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate has a molecular weight of 271.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate is sourced from PubChem (CID 65160354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).