(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H16FNO5 — CID 64712835

IUPAC(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-8(21-12-5-3-2-4-10(12)15)13(18)16-7-9(17)6-11(16)14(19)20/h2-5,8-9,11,17H,6-7H2,1H3,(H,19,20)/t8?,9-,11-/m0/s1
InChIKeyBOAFUKYYGDSPKD-PCFYAGROSA-N
MW297.28 g/mol
LogP0.64
Rot. Bonds4

About (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64712835) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64712835
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-8(21-12-5-3-2-4-10(12)15)13(18)16-7-9(17)6-11(16)14(19)20/h2-5,8-9,11,17H,6-7H2,1H3,(H,19,20)/t8?,9-,11-/m0/s1
InChIKeyBOAFUKYYGDSPKD-PCFYAGROSA-N
XLogP0.64
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356873
(2R,4R)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000234
4-[2-(2-fluorophenoxy)propanoyl]thiomorpholine-3-carboxylic acid
CID 78979742
(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000208
(2S)-1-[2-(difluoromethoxy)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153085
(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
CID 61152823
methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 43423891
(2S,4R)-1-[(2-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843043
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
1-[(2S)-2-amino-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158237

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64712835) is (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(Oc1ccccc1F)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BOAFUKYYGDSPKD-PCFYAGROSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-8(21-12-5-3-2-4-10(12)15)13(18)16-7-9(17)6-11(16)14(19)20/h2-5,8-9,11,17H,6-7H2,1H3,(H,19,20)/t8?,9-,11-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).