methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate

C14H18N2O4 — CID 66237277

IUPACmethyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2COCC2N)cc1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)10-4-2-9(3-5-10)6-16-13(17)11-7-20-8-12(11)15/h2-5,11-12H,6-8,15H2,1H3,(H,16,17)
InChIKeyUCQGGVUTPVKDHR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.06
Rot. Bonds4

About methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate

methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate (PubChem CID 66237277) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
PubChem CID66237277
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2COCC2N)cc1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)10-4-2-9(3-5-10)6-16-13(17)11-7-20-8-12(11)15/h2-5,11-12H,6-8,15H2,1H3,(H,16,17)
InChIKeyUCQGGVUTPVKDHR-UHFFFAOYSA-N
XLogP0.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
CID 66236279
ethane;methyl 4-[[(4-aminocyclohexanecarbonyl)amino]methyl]benzoate
CID 145465923
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
methyl 4-[[(2-benzylcyclohexanecarbonyl)amino]methyl]benzoate
CID 118562025
methyl 4-[[[2-[(4-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562041
methyl 4-[[[2-[(3,5-dihydroxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 144974027
methyl 4-[[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]benzoate
CID 18084141
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate (CID 66237277) is methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2COCC2N)cc1.
What is the InChIKey of methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate?
The InChIKey is UCQGGVUTPVKDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)10-4-2-9(3-5-10)6-16-13(17)11-7-20-8-12(11)15/h2-5,11-12H,6-8,15H2,1H3,(H,16,17).
What are the key properties of methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate?
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate has a molecular weight of 278.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 66237277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).