2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid

C13H16N2O5 — CID 61191613

IUPAC2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCC1CCCO1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H16N2O5/c16-11-6-8(3-4-10(11)12(17)18)15-13(19)14-7-9-2-1-5-20-9/h3-4,6,9,16H,1-2,5,7H2,(H,17,18)(H2,14,15,19)
InChIKeyQYALTVADDKCRNW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.39
Rot. Bonds4

About 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid

2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid (PubChem CID 61191613) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
PubChem CID61191613
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCC1CCCO1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H16N2O5/c16-11-6-8(3-4-10(11)12(17)18)15-13(19)14-7-9-2-1-5-20-9/h3-4,6,9,16H,1-2,5,7H2,(H,17,18)(H2,14,15,19)
InChIKeyQYALTVADDKCRNW-UHFFFAOYSA-N
XLogP1.39
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid (CID 61191613) is 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid is O=C(NCC1CCCO1)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is QYALTVADDKCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-11-6-8(3-4-10(11)12(17)18)15-13(19)14-7-9-2-1-5-20-9/h3-4,6,9,16H,1-2,5,7H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid?
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61191613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).