methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate

C14H18N2O4 — CID 66240421

IUPACmethyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1COCC1N
InChIInChI=1S/C14H18N2O4/c1-8-3-4-12(9(5-8)14(18)19-2)16-13(17)10-6-20-7-11(10)15/h3-5,10-11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyICTZWHFVHQZEPL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate

methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate (PubChem CID 66240421) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
PubChem CID66240421
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1COCC1N
InChIInChI=1S/C14H18N2O4/c1-8-3-4-12(9(5-8)14(18)19-2)16-13(17)10-6-20-7-11(10)15/h3-5,10-11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyICTZWHFVHQZEPL-UHFFFAOYSA-N
XLogP0.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate (CID 66240421) is methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)C1COCC1N.
What is the InChIKey of methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate?
The InChIKey is ICTZWHFVHQZEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-3-4-12(9(5-8)14(18)19-2)16-13(17)10-6-20-7-11(10)15/h3-5,10-11H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate?
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 66240421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).