2-(4-aminophenyl)morpholine-4-carboxylic acid

C11H14N2O3 — CID 66705901

IUPAC2-(4-aminophenyl)morpholine-4-carboxylic acid
SMILESNc1ccc(C2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C11H14N2O3/c12-9-3-1-8(2-4-9)10-7-13(11(14)15)5-6-16-10/h1-4,10H,5-7,12H2,(H,14,15)
InChIKeyHGPJRCDUFZYVPC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.32
Rot. Bonds1

About 2-(4-aminophenyl)morpholine-4-carboxylic acid

2-(4-aminophenyl)morpholine-4-carboxylic acid (PubChem CID 66705901) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)morpholine-4-carboxylic acid
PubChem CID66705901
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(4-aminophenyl)morpholine-4-carboxylic acid
SMILESNc1ccc(C2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C11H14N2O3/c12-9-3-1-8(2-4-9)10-7-13(11(14)15)5-6-16-10/h1-4,10H,5-7,12H2,(H,14,15)
InChIKeyHGPJRCDUFZYVPC-UHFFFAOYSA-N
XLogP1.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
2-(4-amino-3-cyanophenyl)morpholine-4-carboxylic acid
CID 89262028
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
CID 88937603
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate;tert-butyl 2-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl 2-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 160578774

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)morpholine-4-carboxylic acid (CID 66705901) is 2-(4-aminophenyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)morpholine-4-carboxylic acid is Nc1ccc(C2CN(C(=O)O)CCO2)cc1.
What is the InChIKey of 2-(4-aminophenyl)morpholine-4-carboxylic acid?
The InChIKey is HGPJRCDUFZYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-3-1-8(2-4-9)10-7-13(11(14)15)5-6-16-10/h1-4,10H,5-7,12H2,(H,14,15).
What are the key properties of 2-(4-aminophenyl)morpholine-4-carboxylic acid?
2-(4-aminophenyl)morpholine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 66705901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).