3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid

C17H17F2NO5 — CID 119208003

IUPAC3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccc(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C17H17F2NO5/c1-24-10-12-3-5-15(25-12)17(23)20(7-6-16(21)22)9-11-2-4-13(18)14(19)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,21,22)
InChIKeySBIVPZAXZYSQNZ-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.82
Rot. Bonds8

About 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid

3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 119208003) has the molecular formula C17H17F2NO5 and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID119208003
Molecular FormulaC17H17F2NO5
Molecular Weight353.32 g/mol
Exact Mass353.11
IUPAC Name3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccc(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C17H17F2NO5/c1-24-10-12-3-5-15(25-12)17(23)20(7-6-16(21)22)9-11-2-4-13(18)14(19)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,21,22)
InChIKeySBIVPZAXZYSQNZ-UHFFFAOYSA-N
XLogP2.82
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)methyl-(5-methylfuran-2-carbonyl)amino]propanoic acid
CID 119208086
3-[(3,4-difluorophenyl)methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
CID 138029039
3-[(3,4-difluorophenyl)methyl-[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119207894
3-[(3,4-difluorophenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119208062
3-[(3,4-difluorophenyl)methyl-[3-(dimethylcarbamoyl)benzoyl]amino]propanoic acid
CID 120520204
3-[(3,4-difluorophenyl)methyl-(3-methylbut-2-enoyl)amino]propanoic acid
CID 86779621
3-[(3,4-difluorophenyl)methyl-[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119208113
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923
3-[(3,4-difluorophenyl)methyl-(2-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207847
3-[(3,4-difluorophenyl)methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 119208049
3-[(3,4-difluorophenyl)methyl-[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692965
N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 120885996

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid (CID 119208003) is 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid is COCc1ccc(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)o1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is SBIVPZAXZYSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5/c1-24-10-12-3-5-15(25-12)17(23)20(7-6-16(21)22)9-11-2-4-13(18)14(19)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,21,22).
What are the key properties of 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid?
3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 353.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119208003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).