3-[(2R)-morpholin-2-yl]benzoic acid

C11H13NO3 — CID 169449190

IUPAC3-[(2R)-morpholin-2-yl]benzoic acid
SMILESO=C(O)c1cccc([C@@H]2CNCCO2)c1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-2-8(6-9)10-7-12-4-5-15-10/h1-3,6,10,12H,4-5,7H2,(H,13,14)/t10-/m0/s1
InChIKeyDBNVZFSPCQEISR-JTQLQIEISA-N
MW207.23 g/mol
LogP1.05
Rot. Bonds2

About 3-[(2R)-morpholin-2-yl]benzoic acid

3-[(2R)-morpholin-2-yl]benzoic acid (PubChem CID 169449190) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(2R)-morpholin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[(2R)-morpholin-2-yl]benzoic acid
PubChem CID169449190
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-[(2R)-morpholin-2-yl]benzoic acid
SMILESO=C(O)c1cccc([C@@H]2CNCCO2)c1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-2-8(6-9)10-7-12-4-5-15-10/h1-3,6,10,12H,4-5,7H2,(H,13,14)/t10-/m0/s1
InChIKeyDBNVZFSPCQEISR-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

4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
azane;2-phenylmorpholine
CID 174664757
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
1-methyl-1-(3-morpholin-2-ylphenyl)urea
CID 117342534
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2,6-difluoro-4-morpholin-2-ylbenzoic acid
CID 117359158
tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
CID 117472224
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-morpholin-2-yl]benzoic acid?
The IUPAC name of 3-[(2R)-morpholin-2-yl]benzoic acid (CID 169449190) is 3-[(2R)-morpholin-2-yl]benzoic acid.
What is the SMILES notation for 3-[(2R)-morpholin-2-yl]benzoic acid?
The canonical SMILES for 3-[(2R)-morpholin-2-yl]benzoic acid is O=C(O)c1cccc([C@@H]2CNCCO2)c1.
What is the InChIKey of 3-[(2R)-morpholin-2-yl]benzoic acid?
The InChIKey is DBNVZFSPCQEISR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-8(6-9)10-7-12-4-5-15-10/h1-3,6,10,12H,4-5,7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 3-[(2R)-morpholin-2-yl]benzoic acid?
3-[(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 3-[(2R)-morpholin-2-yl]benzoic acid is sourced from PubChem (CID 169449190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).