(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid

C16H22FNO5 — CID 167853417

IUPAC(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(COCC(O)CN2C[C@@H](F)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C16H22FNO5/c1-22-14-4-2-11(3-5-14)9-23-10-13(19)8-18-7-12(17)6-15(18)16(20)21/h2-5,12-13,15,19H,6-10H2,1H3,(H,20,21)/t12-,13?,15-/m0/s1
InChIKeyAMDWFRYCVHEWAO-YOYPFHDYSA-N
MW327.35 g/mol
LogP1.07
Rot. Bonds8

About (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid (PubChem CID 167853417) has the molecular formula C16H22FNO5 and a molecular weight of 327.35 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
PubChem CID167853417
Molecular FormulaC16H22FNO5
Molecular Weight327.35 g/mol
Exact Mass327.15
IUPAC Name(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(COCC(O)CN2C[C@@H](F)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C16H22FNO5/c1-22-14-4-2-11(3-5-14)9-23-10-13(19)8-18-7-12(17)6-15(18)16(20)21/h2-5,12-13,15,19H,6-10H2,1H3,(H,20,21)/t12-,13?,15-/m0/s1
InChIKeyAMDWFRYCVHEWAO-YOYPFHDYSA-N
XLogP1.07
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
CID 42919233
4-(2-hydroxy-3-phenylmethoxypropyl)thiomorpholine-3-carboxylic acid
CID 82897554
(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
CID 167884847
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31572513
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
(2S,4R)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid
CID 138720589
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 56509405
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid (CID 167853417) is (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid is COc1ccc(COCC(O)CN2C[C@@H](F)C[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AMDWFRYCVHEWAO-YOYPFHDYSA-N. The full InChI is InChI=1S/C16H22FNO5/c1-22-14-4-2-11(3-5-14)9-23-10-13(19)8-18-7-12(17)6-15(18)16(20)21/h2-5,12-13,15,19H,6-10H2,1H3,(H,20,21)/t12-,13?,15-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 327.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167853417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).