2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid

C13H15NO6 — CID 19000939

IUPAC2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1cccc(O)c1C(=O)O)OCC1CCCO1
InChIInChI=1S/C13H15NO6/c15-10-5-1-4-9(11(10)12(16)17)14-13(18)20-7-8-3-2-6-19-8/h1,4-5,8,15H,2-3,6-7H2,(H,14,18)(H,16,17)
InChIKeyBAWMTGZGUMOXCC-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.82
Rot. Bonds4

About 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid

2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid (PubChem CID 19000939) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
PubChem CID19000939
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1cccc(O)c1C(=O)O)OCC1CCCO1
InChIInChI=1S/C13H15NO6/c15-10-5-1-4-9(11(10)12(16)17)14-13(18)20-7-8-3-2-6-19-8/h1,4-5,8,15H,2-3,6-7H2,(H,14,18)(H,16,17)
InChIKeyBAWMTGZGUMOXCC-UHFFFAOYSA-N
XLogP1.82
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
[(2R)-oxolan-2-yl]methyl N-(2-phenylsulfanylethyl)carbamate
CID 100762774
oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
CID 119038406
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
2-hydroxy-6-(2-phenylsulfanylethoxycarbonylamino)benzoic acid
CID 19000796
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
2-hydroxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 104833640

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid (CID 19000939) is 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid is O=C(Nc1cccc(O)c1C(=O)O)OCC1CCCO1.
What is the InChIKey of 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid?
The InChIKey is BAWMTGZGUMOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c15-10-5-1-4-9(11(10)12(16)17)14-13(18)20-7-8-3-2-6-19-8/h1,4-5,8,15H,2-3,6-7H2,(H,14,18)(H,16,17).
What are the key properties of 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid?
2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid has a molecular weight of 281.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 19000939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).