3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid

C15H15F2N3O4 — CID 122077436

IUPAC3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C15H15F2N3O4/c1-20(8-6-12(21)22)15(23)19-10-4-5-11(24-14(16)17)13-9(10)3-2-7-18-13/h2-5,7,14H,6,8H2,1H3,(H,19,23)(H,21,22)
InChIKeyYUUGLLGMLCAUKP-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.77
Rot. Bonds6

About 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid

3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid (PubChem CID 122077436) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
PubChem CID122077436
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C15H15F2N3O4/c1-20(8-6-12(21)22)15(23)19-10-4-5-11(24-14(16)17)13-9(10)3-2-7-18-13/h2-5,7,14H,6,8H2,1H3,(H,19,23)(H,21,22)
InChIKeyYUUGLLGMLCAUKP-UHFFFAOYSA-N
XLogP2.77
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid with MolForge

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Related Compounds

3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 60549695
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid
CID 122090926
N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide
CID 71888381
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122078078

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid (CID 122077436) is 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1ccc(OC(F)F)c2ncccc12.
What is the InChIKey of 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid?
The InChIKey is YUUGLLGMLCAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-20(8-6-12(21)22)15(23)19-10-4-5-11(24-14(16)17)13-9(10)3-2-7-18-13/h2-5,7,14H,6,8H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid?
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid has a molecular weight of 339.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122077436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).