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

C15H20FN3O4 — CID 122095228

IUPAC3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C15H20FN3O4/c1-18(5-4-14(20)21)15(22)17-12-3-2-11(16)10-13(12)19-6-8-23-9-7-19/h2-3,10H,4-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyVFHLSZFBMBBCDX-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.60
Rot. Bonds5

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

3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid (PubChem CID 122095228) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
PubChem CID122095228
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C15H20FN3O4/c1-18(5-4-14(20)21)15(22)17-12-3-2-11(16)10-13(12)19-6-8-23-9-7-19/h2-3,10H,4-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyVFHLSZFBMBBCDX-UHFFFAOYSA-N
XLogP1.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 122073939
3-[(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122092989
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
3-[[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl-methylamino]propanoic acid
CID 122088326
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 118398302
4-[(2-cyano-4-fluorophenyl)carbamoyl-methylamino]butanoic acid
CID 82016572
5-fluoro-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]benzoic acid
CID 79846761
3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
3-[(3,5-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 61189569
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 113092711

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid (CID 122095228) is 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is VFHLSZFBMBBCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c1-18(5-4-14(20)21)15(22)17-12-3-2-11(16)10-13(12)19-6-8-23-9-7-19/h2-3,10H,4-9H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid?
3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 325.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).