2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid

C15H19FN2O4 — CID 146133334

IUPAC2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C15H19FN2O4/c1-2-11(15(20)21)14(19)17-10-3-4-12(16)13(9-10)18-5-7-22-8-6-18/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRSHDCPXOTOCYTN-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid

2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid (PubChem CID 146133334) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid
PubChem CID146133334
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C15H19FN2O4/c1-2-11(15(20)21)14(19)17-10-3-4-12(16)13(9-10)18-5-7-22-8-6-18/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRSHDCPXOTOCYTN-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methyl-3-morpholin-4-ylaniline
CID 145213441
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide
CID 51670668
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
N-(3-bromo-4-fluorophenyl)-2-carbamothioylbutanamide
CID 104779003
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid?
The IUPAC name of 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid (CID 146133334) is 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid?
The canonical SMILES for 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid is CCC(C(=O)O)C(=O)Nc1ccc(F)c(N2CCOCC2)c1.
What is the InChIKey of 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid?
The InChIKey is RSHDCPXOTOCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-2-11(15(20)21)14(19)17-10-3-4-12(16)13(9-10)18-5-7-22-8-6-18/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid?
2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid has a molecular weight of 310.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid is sourced from PubChem (CID 146133334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).