4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid

C12H13NO5 — CID 66223322

IUPAC4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H13NO5/c14-8-3-1-2-7(4-8)11(15)13-10-6-18-5-9(10)12(16)17/h1-4,9-10,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyOWKUBBTUBSSLBF-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.22
Rot. Bonds3

About 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid

4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66223322) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66223322
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H13NO5/c14-8-3-1-2-7(4-8)11(15)13-10-6-18-5-9(10)12(16)17/h1-4,9-10,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyOWKUBBTUBSSLBF-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid (CID 66223322) is 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1cccc(O)c1.
What is the InChIKey of 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OWKUBBTUBSSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-8-3-1-2-7(4-8)11(15)13-10-6-18-5-9(10)12(16)17/h1-4,9-10,14H,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).