methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate

C16H18FNO4 — CID 50981262

IUPACmethyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO4/c1-22-14(20)13-8-10(19)9-18(13)15(21)16(6-7-16)11-4-2-3-5-12(11)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13+/m1/s1
InChIKeyAMBYAEZMRCFVEY-MFKMUULPSA-N
MW307.32 g/mol
LogP0.99
Rot. Bonds3

About methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 50981262) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID50981262
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Namemethyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO4/c1-22-14(20)13-8-10(19)9-18(13)15(21)16(6-7-16)11-4-2-3-5-12(11)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13+/m1/s1
InChIKeyAMBYAEZMRCFVEY-MFKMUULPSA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-(2,2-diphenylacetyl)-4-(3-(4-fluorophenyl)-propoxy)pyrrolidine-2-carboxylic acid
CID 89677514
(2S,4S)-1-(2,2-diphenylacetyl)-4-(3-phenylpropoxy)pyrrolidine-2-carboxylic acid
CID 71604416
(2S,4R)-1-(2,2-diphenylacetyl)-4-(3-phenylpropoxy)pyrrolidine-2-carboxylic acid
CID 89681480
(2S,4S)-1-(2,2-diphenylacetyl)-4-(3-phenylprop-2-ynoxy)pyrrolidine-2-carboxylic acid
CID 89677797
(2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2S)-2-phenylcyclopropyl)methoxy)pyrrolidine-2-carboxylic acid
CID 89681518
(2R,4R)-1-(2,2-diphenylacetyl)-4-(3-phenylpropoxy)pyrrolidine-2-carboxylic acid
CID 89681596
(2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2R)-2-phenylcyclopropyl)methoxy)pyrrolidine-2-carboxylic
CID 117776871
N-benzoyl-3,3-dimethyl-2-trifluoromethyl-4-hydroxyproline methylester
CID 129706639
methyl (2S*,4R*)-1-{3-[(4-fluorobenzyl)thio]propanoyl}-4-hydroxypyrrolidine-2-carboxylate
CID 50973677
methyl (2S,4R)-1-[4-(3-fluorophenyl)butan-2-yl]-4-hydroxypyrrolidine-2-carboxylate
CID 75502568
Methyl 4-methoxy-1-(3-(4-(trifluoromethyl)phenyl)propanoyl)pyrrolidine-2-carboxylate
CID 86264532
Methyl 4-methoxy-1-(2-(m-tolyl)acetyl)pyrrolidine-2-carboxylate
CID 91624708

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate (CID 50981262) is methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is AMBYAEZMRCFVEY-MFKMUULPSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-22-14(20)13-8-10(19)9-18(13)15(21)16(6-7-16)11-4-2-3-5-12(11)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 307.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 50981262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).