2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid

C12H12FNO3 — CID 143703884

IUPAC2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid
SMILESNC(Cc1ccc2c(c1)C(F)C(=O)C2)C(=O)O
InChIInChI=1S/C12H12FNO3/c13-11-8-3-6(4-9(14)12(16)17)1-2-7(8)5-10(11)15/h1-3,9,11H,4-5,14H2,(H,16,17)
InChIKeySYGYIDDQYSJUCY-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid

2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid (PubChem CID 143703884) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid
PubChem CID143703884
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid
SMILESNC(Cc1ccc2c(c1)C(F)C(=O)C2)C(=O)O
InChIInChI=1S/C12H12FNO3/c13-11-8-3-6(4-9(14)12(16)17)1-2-7(8)5-10(11)15/h1-3,9,11H,4-5,14H2,(H,16,17)
InChIKeySYGYIDDQYSJUCY-UHFFFAOYSA-N
XLogP0.78
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 83837146
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CID 163969810
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
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2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
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(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
CID 53360787
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2-amino-3-(4H-1,3-benzodioxin-7-yl)propanoic acid
CID 82392055
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid (CID 143703884) is 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid is NC(Cc1ccc2c(c1)C(F)C(=O)C2)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid?
The InChIKey is SYGYIDDQYSJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-11-8-3-6(4-9(14)12(16)17)1-2-7(8)5-10(11)15/h1-3,9,11H,4-5,14H2,(H,16,17).
What are the key properties of 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid?
2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid has a molecular weight of 237.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid is sourced from PubChem (CID 143703884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).