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

C15H20N2O4 — CID 104502499

IUPAC4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
SMILESCC(CC(=O)N1CCOC(C(=O)O)C1)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O4/c1-10(11-2-4-12(16)5-3-11)8-14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9,16H2,1H3,(H,19,20)
InChIKeyAJRULYYIDRULKU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.07
Rot. Bonds4

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

4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid (PubChem CID 104502499) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
PubChem CID104502499
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
SMILESCC(CC(=O)N1CCOC(C(=O)O)C1)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O4/c1-10(11-2-4-12(16)5-3-11)8-14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9,16H2,1H3,(H,19,20)
InChIKeyAJRULYYIDRULKU-UHFFFAOYSA-N
XLogP1.07
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.07
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

4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
1-[3-(4-aminophenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 104502591
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
(2S)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholine-2-carboxylic acid
CID 125151293
(2S)-4-[(3S)-3-[2-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 124688478
3-(4-aminophenyl)-1-[3-(hydroxymethyl)azetidin-1-yl]butan-1-one
CID 107220455
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 119167632
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid (CID 104502499) is 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid is CC(CC(=O)N1CCOC(C(=O)O)C1)c1ccc(N)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid?
The InChIKey is AJRULYYIDRULKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(11-2-4-12(16)5-3-11)8-14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9,16H2,1H3,(H,19,20).
What are the key properties of 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid?
4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 104502499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).