methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate

C12H21NO4 — CID 114826525

IUPACmethyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h8-10H,5-7H2,1-4H3
InChIKeyORWRIBVBUHKECF-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.68
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate (PubChem CID 114826525) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
PubChem CID114826525
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h8-10H,5-7H2,1-4H3
InChIKeyORWRIBVBUHKECF-UHFFFAOYSA-N
XLogP0.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate (CID 114826525) is methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1COC(C)C1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate?
The InChIKey is ORWRIBVBUHKECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h8-10H,5-7H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 114826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).