2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate

C13H14NO5- — CID 7263699

IUPAC2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C13H15NO5/c15-12(16)8-19-10-5-3-9(4-6-10)14-13(17)11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyKROVNDAQJFMZLN-LLVKDONJSA-M
MW264.26 g/mol
LogP-0.07
Rot. Bonds5

About 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate

2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate (PubChem CID 7263699) has the molecular formula C13H14NO5- and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
PubChem CID7263699
Molecular FormulaC13H14NO5-
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C13H15NO5/c15-12(16)8-19-10-5-3-9(4-6-10)14-13(17)11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyKROVNDAQJFMZLN-LLVKDONJSA-M
XLogP-0.07
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7126486
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
CID 90973263
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 900571
N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The IUPAC name of 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate (CID 7263699) is 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate is O=C([O-])COc1ccc(NC(=O)[C@H]2CCCO2)cc1.
What is the InChIKey of 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The InChIKey is KROVNDAQJFMZLN-LLVKDONJSA-M. The full InChI is InChI=1S/C13H15NO5/c15-12(16)8-19-10-5-3-9(4-6-10)14-13(17)11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1.
What are the key properties of 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate has a molecular weight of 264.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 7263699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).