methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate

C15H20FNO3 — CID 99847607

IUPACmethyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1F)N1CC[C@@H](CCO)C1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-2-3-5-13(12)16)17-8-6-11(10-17)7-9-18/h2-5,11,14,18H,6-10H2,1H3/t11-,14+/m0/s1
InChIKeySDGLQXFBKMFULS-SMDDNHRTSA-N
MW281.33 g/mol
LogP1.74
Rot. Bonds5

About methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate

methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate (PubChem CID 99847607) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
PubChem CID99847607
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1F)N1CC[C@@H](CCO)C1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-2-3-5-13(12)16)17-8-6-11(10-17)7-9-18/h2-5,11,14,18H,6-10H2,1H3/t11-,14+/m0/s1
InChIKeySDGLQXFBKMFULS-SMDDNHRTSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
methyl (2S)-2-(2-fluorophenyl)-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetate
CID 97101368
methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate
CID 119050825
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
(2Z)-2-[4-(2-aminoethyldisulfanyl)-1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]piperidin-3-ylidene]acetic acid
CID 118565531
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(sulfanylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 18703832

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate (CID 99847607) is methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate is COC(=O)[C@@H](c1ccccc1F)N1CC[C@@H](CCO)C1.
What is the InChIKey of methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The InChIKey is SDGLQXFBKMFULS-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-2-3-5-13(12)16)17-8-6-11(10-17)7-9-18/h2-5,11,14,18H,6-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate has a molecular weight of 281.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 99847607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).