2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid

C12H13NO5 — CID 123499675

IUPAC2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C12H13NO5/c14-10-2-1-8(7-9(10)12(16)17)11(15)13-3-5-18-6-4-13/h1-2,7,14H,3-6H2,(H,16,17)
InChIKeyNEOYJYMBLWOMCJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.56
Rot. Bonds2

About 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid

2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid (PubChem CID 123499675) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
PubChem CID123499675
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C12H13NO5/c14-10-2-1-8(7-9(10)12(16)17)11(15)13-3-5-18-6-4-13/h1-2,7,14H,3-6H2,(H,16,17)
InChIKeyNEOYJYMBLWOMCJ-UHFFFAOYSA-N
XLogP0.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
5-(4-chloro-1,3-dihydroisoindole-2-carbonyl)-2-hydroxybenzoic acid
CID 170966642

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid (CID 123499675) is 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid is O=C(O)c1cc(C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid?
The InChIKey is NEOYJYMBLWOMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10-2-1-8(7-9(10)12(16)17)11(15)13-3-5-18-6-4-13/h1-2,7,14H,3-6H2,(H,16,17).
What are the key properties of 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid?
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 123499675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).