2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid

C19H20FNO4 — CID 119202954

IUPAC2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1
InChIInChI=1S/C19H20FNO4/c1-12(19(23)24)21(13-6-7-13)18(22)11-9-14-8-10-17(25-14)15-4-2-3-5-16(15)20/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,23,24)
InChIKeyLHKMJDNQQBNYDO-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.48
Rot. Bonds7

About 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid

2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid (PubChem CID 119202954) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
PubChem CID119202954
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1
InChIInChI=1S/C19H20FNO4/c1-12(19(23)24)21(13-6-7-13)18(22)11-9-14-8-10-17(25-14)15-4-2-3-5-16(15)20/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,23,24)
InChIKeyLHKMJDNQQBNYDO-UHFFFAOYSA-N
XLogP3.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid (CID 119202954) is 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid?
The InChIKey is LHKMJDNQQBNYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12(19(23)24)21(13-6-7-13)18(22)11-9-14-8-10-17(25-14)15-4-2-3-5-16(15)20/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid has a molecular weight of 345.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid is sourced from PubChem (CID 119202954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).