4-[(2R)-morpholin-2-yl]benzoic acid

C11H13NO3 — CID 96582723

IUPAC4-[(2R)-morpholin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2CNCCO2)cc1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-8(2-4-9)10-7-12-5-6-15-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyCUYZHOFYGRTEIN-JTQLQIEISA-N
MW207.23 g/mol
LogP1.05
Rot. Bonds2

About 4-[(2R)-morpholin-2-yl]benzoic acid

4-[(2R)-morpholin-2-yl]benzoic acid (PubChem CID 96582723) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-[(2R)-morpholin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-morpholin-2-yl]benzoic acid
PubChem CID96582723
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-[(2R)-morpholin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2CNCCO2)cc1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-8(2-4-9)10-7-12-5-6-15-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyCUYZHOFYGRTEIN-JTQLQIEISA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
azane;2-phenylmorpholine
CID 174664757
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
4-[(2S)-oxiran-2-yl]benzoic acid
CID 86313476
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
2,6-difluoro-4-morpholin-2-ylbenzoic acid
CID 117359158
N-hydroxy-2-(4-morpholin-2-ylphenyl)-2-phenylacetamide
CID 175263952
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174869251

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-morpholin-2-yl]benzoic acid?
The IUPAC name of 4-[(2R)-morpholin-2-yl]benzoic acid (CID 96582723) is 4-[(2R)-morpholin-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2R)-morpholin-2-yl]benzoic acid?
The canonical SMILES for 4-[(2R)-morpholin-2-yl]benzoic acid is O=C(O)c1ccc([C@@H]2CNCCO2)cc1.
What is the InChIKey of 4-[(2R)-morpholin-2-yl]benzoic acid?
The InChIKey is CUYZHOFYGRTEIN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)9-3-1-8(2-4-9)10-7-12-5-6-15-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 4-[(2R)-morpholin-2-yl]benzoic acid?
4-[(2R)-morpholin-2-yl]benzoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-morpholin-2-yl]benzoic acid is sourced from PubChem (CID 96582723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).