4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid

C14H18N2O4 — CID 107273042

IUPAC4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
SMILESNc1ccccc1CCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-4,12H,5-9,15H2,(H,18,19)
InChIKeyOCEFEAGFVZPJNR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.51
Rot. Bonds4

About 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid

4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 107273042) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
PubChem CID107273042
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
SMILESNc1ccccc1CCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-4,12H,5-9,15H2,(H,18,19)
InChIKeyOCEFEAGFVZPJNR-UHFFFAOYSA-N
XLogP0.51
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.51
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-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
3-(2-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369332
3-[1-[3-(2-aminophenyl)propanoyl]pyrrolidin-3-yl]propanoic acid
CID 107273313

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid (CID 107273042) is 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid is Nc1ccccc1CCC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is OCEFEAGFVZPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-4,12H,5-9,15H2,(H,18,19).
What are the key properties of 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid?
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 107273042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).