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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Related Compounds

Methyl 2-[3-(furan-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 16331467
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-isopropyl-2H-pyrrol-5-one
CID 513238
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-3-phenyl-propionic acid
CID 2896685
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691
2-[(5-tert-Butyl-2-methyl-furan-3-carbonyl)-amino]-3-phenyl-propionic acid
CID 596838
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
CID 513239
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 930149
(3R,4S)-4-(4-fluorophenyl)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 16668445
N-cyclopentyl-3-(5-(4-fluorophenyl)furan-2-yl)propanamide
CID 17014822
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
CID 17418153
3-[5-(4-Fluorophenyl)furan-2-YL]-1-(pyrrolidin-1-YL)propan-1-one
CID 22587448

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).