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

C14H25NO4 — CID 65160300

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

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

methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate (PubChem CID 65160300) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
PubChem CID65160300
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H25NO4/c1-6-7-15(8-12(16)18-5)14(17)13-9(2)10(3)19-11(13)4/h9-11,13H,6-8H2,1-5H3
InChIKeyFJXXYAVTLHIRDX-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
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65152019
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
CID 65160354
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
2,4,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propyloxolane-3-carboxamide
CID 106625536
N-(2-aminoethyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152023
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate (CID 65160300) is methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate?
The InChIKey is FJXXYAVTLHIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-7-15(8-12(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 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate?
methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate 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 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate is sourced from PubChem (CID 65160300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).