2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid

C15H19FO3 — CID 52941067

IUPAC2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F
InChIInChI=1S/C15H19FO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11,14,17H,2-4,7H2,1H3,(H,18,19)/t9?,11-,14-/m0/s1
InChIKeySNSNKHOGRIQHBJ-PSADTEFUSA-N
MW266.31 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid

2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid (PubChem CID 52941067) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
PubChem CID52941067
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F
InChIInChI=1S/C15H19FO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11,14,17H,2-4,7H2,1H3,(H,18,19)/t9?,11-,14-/m0/s1
InChIKeySNSNKHOGRIQHBJ-PSADTEFUSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid (CID 52941067) is 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The InChIKey is SNSNKHOGRIQHBJ-PSADTEFUSA-N. The full InChI is InChI=1S/C15H19FO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11,14,17H,2-4,7H2,1H3,(H,18,19)/t9?,11-,14-/m0/s1.
What are the key properties of 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid has a molecular weight of 266.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[(1S,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid is sourced from PubChem (CID 52941067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).