2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid

C12H13NO5 — CID 16775215

IUPAC2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCO2)cc1O
InChIInChI=1S/C12H13NO5/c14-9-6-7(3-4-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyIFNVAFQGFCQVDZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.21
Rot. Bonds3

About 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid

2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid (PubChem CID 16775215) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
PubChem CID16775215
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCO2)cc1O
InChIInChI=1S/C12H13NO5/c14-9-6-7(3-4-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyIFNVAFQGFCQVDZ-UHFFFAOYSA-N
XLogP1.21
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
CID 18071014
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
N-phenyloxolane-2-carboxamide
CID 3453643
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid (CID 16775215) is 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)C2CCCO2)cc1O.
What is the InChIKey of 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid?
The InChIKey is IFNVAFQGFCQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-9-6-7(3-4-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid?
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid is sourced from PubChem (CID 16775215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).