4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid

C19H17NO7 — CID 17361884

IUPAC4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
SMILESO=C(O)c1ccc(Oc2cccc(NC(=O)C3CCCO3)c2)cc1C(=O)O
InChIInChI=1S/C19H17NO7/c21-17(16-5-2-8-26-16)20-11-3-1-4-12(9-11)27-13-6-7-14(18(22)23)15(10-13)19(24)25/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeySGYNXQCTYYSHLX-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.99
Rot. Bonds6

About 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid

4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid (PubChem CID 17361884) has the molecular formula C19H17NO7 and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid.

Molecular Properties

Compound Name4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
PubChem CID17361884
Molecular FormulaC19H17NO7
Molecular Weight371.35 g/mol
Exact Mass371.10
IUPAC Name4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
SMILESO=C(O)c1ccc(Oc2cccc(NC(=O)C3CCCO3)c2)cc1C(=O)O
InChIInChI=1S/C19H17NO7/c21-17(16-5-2-8-26-16)20-11-3-1-4-12(9-11)27-13-6-7-14(18(22)23)15(10-13)19(24)25/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeySGYNXQCTYYSHLX-UHFFFAOYSA-N
XLogP2.99
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7126486
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-phenyloxolane-2-carboxamide
CID 3453643
N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid?
The IUPAC name of 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid (CID 17361884) is 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid.
What is the SMILES notation for 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid?
The canonical SMILES for 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid is O=C(O)c1ccc(Oc2cccc(NC(=O)C3CCCO3)c2)cc1C(=O)O.
What is the InChIKey of 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid?
The InChIKey is SGYNXQCTYYSHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7/c21-17(16-5-2-8-26-16)20-11-3-1-4-12(9-11)27-13-6-7-14(18(22)23)15(10-13)19(24)25/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid?
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid has a molecular weight of 371.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid is sourced from PubChem (CID 17361884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).