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

C14H25NO4 — CID 65160102

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

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

methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate (PubChem CID 65160102) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
PubChem CID65160102
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H25NO4/c1-6-15(8-7-12(16)18-5)14(17)13-9(2)10(3)19-11(13)4/h9-11,13H,6-8H2,1-5H3
InChIKeyASFHAXROXKOYCW-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 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
CID 65160300
N-(2-aminoethyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152023
methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
CID 65160354
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65152019
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
CID 61011308
methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
CID 78971411
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate (CID 65160102) is methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate?
The InChIKey is ASFHAXROXKOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-15(8-7-12(16)18-5)14(17)13-9(2)10(3)19-11(13)4/h9-11,13H,6-8H2,1-5H3.
What are the key properties of methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate?
methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate 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 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 65160102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).