3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid

C15H14FNO4 — CID 84583373

IUPAC3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4/c1-9-6-7-21-14(9)15(20)17-12(8-13(18)19)10-2-4-11(16)5-3-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyKRVWUHPLFPYKEU-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.67
Rot. Bonds5

About 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid

3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 84583373) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
PubChem CID84583373
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4/c1-9-6-7-21-14(9)15(20)17-12(8-13(18)19)10-2-4-11(16)5-3-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyKRVWUHPLFPYKEU-UHFFFAOYSA-N
XLogP2.67
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 97233805
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
3-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]butanoic acid
CID 104501841
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid (CID 84583373) is 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid is Cc1ccoc1C(=O)NC(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is KRVWUHPLFPYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-6-7-21-14(9)15(20)17-12(8-13(18)19)10-2-4-11(16)5-3-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 291.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 84583373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).