3-amino-5-morpholin-4-ylbenzoic acid

C11H14N2O3 — CID 67513749

IUPAC3-amino-5-morpholin-4-ylbenzoic acid
SMILESNc1cc(C(=O)O)cc(N2CCOCC2)c1
InChIInChI=1S/C11H14N2O3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7H,1-4,12H2,(H,14,15)
InChIKeyHQCBZMUGKYWHAQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.80
Rot. Bonds2

About 3-amino-5-morpholin-4-ylbenzoic acid

3-amino-5-morpholin-4-ylbenzoic acid (PubChem CID 67513749) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-amino-5-morpholin-4-ylbenzoic acid
PubChem CID67513749
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-5-morpholin-4-ylbenzoic acid
SMILESNc1cc(C(=O)O)cc(N2CCOCC2)c1
InChIInChI=1S/C11H14N2O3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7H,1-4,12H2,(H,14,15)
InChIKeyHQCBZMUGKYWHAQ-UHFFFAOYSA-N
XLogP0.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-morpholin-4-ylphenol
CID 155639936
3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one
CID 59631041
5-[4-(3,5-dicarboxyphenyl)piperazin-1-yl]benzene-1,3-dicarboxylic acid
CID 122230788
3-(benzenesulfonyl)-5-morpholin-4-ylbenzoic acid
CID 146173833
3-amino-5-(oxan-4-yl)benzoic acid
CID 67514172
3,5-diaminobenzoic acid;hydrochloride
CID 43835047
5-aminobenzene-1,3-dicarboxylic acid;zinc
CID 174938502
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
3-(2-fluoro-4-methylphenyl)-5-morpholin-4-ylbenzoic acid
CID 68733191

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-amino-5-morpholin-4-ylbenzoic acid (CID 67513749) is 3-amino-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-amino-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-amino-5-morpholin-4-ylbenzoic acid is Nc1cc(C(=O)O)cc(N2CCOCC2)c1.
What is the InChIKey of 3-amino-5-morpholin-4-ylbenzoic acid?
The InChIKey is HQCBZMUGKYWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7H,1-4,12H2,(H,14,15).
What are the key properties of 3-amino-5-morpholin-4-ylbenzoic acid?
3-amino-5-morpholin-4-ylbenzoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 67513749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).