2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate

C13H14NO5- — CID 7126486

IUPAC2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
SMILESO=C([O-])COc1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C13H15NO5/c15-12(16)8-19-10-4-1-3-9(7-10)14-13(17)11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyPYWWEMCYENINNJ-LLVKDONJSA-M
MW264.26 g/mol
LogP-0.07
Rot. Bonds5

About 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate

2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate (PubChem CID 7126486) has the molecular formula C13H14NO5- and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
PubChem CID7126486
Molecular FormulaC13H14NO5-
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
SMILESO=C([O-])COc1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C13H15NO5/c15-12(16)8-19-10-4-1-3-9(7-10)14-13(17)11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyPYWWEMCYENINNJ-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-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7263699
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The IUPAC name of 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate (CID 7126486) is 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate is O=C([O-])COc1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
The InChIKey is PYWWEMCYENINNJ-LLVKDONJSA-M. The full InChI is InChI=1S/C13H15NO5/c15-12(16)8-19-10-4-1-3-9(7-10)14-13(17)11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1.
What are the key properties of 2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate?
2-[3-[[(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-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 7126486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).