(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C56H62F4N6O14 — CID 158327772

IUPAC(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESC.COC(=O)C1CC(=O)NC1c1ccc(F)c(OC)c1.COc1cc(C2NC(=O)C[C@@H]2C(=O)O)ccc1F.COc1cc([C@H]2NC(=O)CC2N)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C19H19FN2O4.C13H14FNO4.C12H12FNO4.C11H13FN2O2.CH4/c1-25-16-9-13(7-8-14(16)20)18-15(10-17(23)22-18)21-19(24)26-11-12-5-3-2-4-6-12;1-18-10-5-7(3-4-9(10)14)12-8(13(17)19-2)6-11(16)15-12;1-18-9-4-6(2-3-8(9)13)11-7(12(16)17)5-10(15)14-11;1-16-9-4-6(2-3-7(9)12)11-8(13)5-10(15)14-11;/h2-9,15,18H,10-11H2,1H3,(H,21,24)(H,22,23);3-5,8,12H,6H2,1-2H3,(H,15,16);2-4,7,11H,5H2,1H3,(H,14,15)(H,16,17);2-4,8,11H,5,13H2,1H3,(H,14,15);1H4/t15-,18+;;7-,11?;8?,11-;/m0.01./s1
InChIKeyGPPVEFXBUNQNIV-CAZDAWKKSA-N
MW1119.13 g/mol
LogP6.33
Rot. Bonds13

About (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 158327772) has the molecular formula C56H62F4N6O14 and a molecular weight of 1119.13 g/mol. Its IUPAC name is (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID158327772
Molecular FormulaC56H62F4N6O14
Molecular Weight1119.13 g/mol
Exact Mass1118.43
IUPAC Name(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESC.COC(=O)C1CC(=O)NC1c1ccc(F)c(OC)c1.COc1cc(C2NC(=O)C[C@@H]2C(=O)O)ccc1F.COc1cc([C@H]2NC(=O)CC2N)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C19H19FN2O4.C13H14FNO4.C12H12FNO4.C11H13FN2O2.CH4/c1-25-16-9-13(7-8-14(16)20)18-15(10-17(23)22-18)21-19(24)26-11-12-5-3-2-4-6-12;1-18-10-5-7(3-4-9(10)14)12-8(13(17)19-2)6-11(16)15-12;1-18-9-4-6(2-3-8(9)13)11-7(12(16)17)5-10(15)14-11;1-16-9-4-6(2-3-7(9)12)11-8(13)5-10(15)14-11;/h2-9,15,18H,10-11H2,1H3,(H,21,24)(H,22,23);3-5,8,12H,6H2,1-2H3,(H,15,16);2-4,7,11H,5H2,1H3,(H,14,15)(H,16,17);2-4,8,11H,5,13H2,1H3,(H,14,15);1H4/t15-,18+;;7-,11?;8?,11-;/m0.01./s1
InChIKeyGPPVEFXBUNQNIV-CAZDAWKKSA-N
XLogP6.33
TPSA281.27 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001119.13
LogP ≤ 56.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate 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

N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-methoxybenzamide;tert-butyl N-[(2R)-1-(2-fluorophenyl)-4-[(2S)-2-[[(3-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]-4-oxobutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 159793828
benzyl N-[(3R)-1-(2-fluoro-5-methoxybenzoyl)pyrrolidin-3-yl]carbamate;benzyl N-[(3R)-pyrrolidin-3-yl]carbamate;2-fluoro-5-methoxybenzoic acid
CID 157058079
(5S,8S,10R)-5-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide;(5S,8S,10R)-5-cyclohexyl-N-[(3R)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylic acid
CID 157160344
CID 157235567
CID 157235567
CID 157256914
CID 157256914
tert-butyl (2S)-4-benzyl-2-[(S)-[(3S)-17-fluoro-5,8-dioxo-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),11,15,17-tetraen-3-yl]-hydroxymethyl]-3-oxopiperazine-1-carboxylate;tert-butyl (2S)-4-benzyl-2-[(S)-[(3S)-17-fluoro-5,8-dioxo-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-trien-3-yl]-hydroxymethyl]-3-oxopiperazine-1-carboxylate
CID 157541819
4-Amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 157951871
(3S)-3-[(S)-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-hydroxymethyl]-17-fluoro-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-5,8-dione;tert-butyl (2S)-4-benzyl-2-[(S)-[(3S)-17-fluoro-5,8-dioxo-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-trien-3-yl]-hydroxymethyl]-3-oxopiperazine-1-carboxylate
CID 158075625
(4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;benzyl N-[(2R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate;methane;methyl 2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate;(3S)-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid;phenylmethanol
CID 158225359
CID 158780243
CID 158780243
(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;bis(methyl (3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate);methyl (3R,4R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 159086027
(4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl (3R)-2-(4-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 159427622

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 158327772) is (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is C.COC(=O)C1CC(=O)NC1c1ccc(F)c(OC)c1.COc1cc(C2NC(=O)C[C@@H]2C(=O)O)ccc1F.COc1cc([C@H]2NC(=O)CC2N)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)OCc2ccccc2)ccc1F.
What is the InChIKey of (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GPPVEFXBUNQNIV-CAZDAWKKSA-N. The full InChI is InChI=1S/C19H19FN2O4.C13H14FNO4.C12H12FNO4.C11H13FN2O2.CH4/c1-25-16-9-13(7-8-14(16)20)18-15(10-17(23)22-18)21-19(24)26-11-12-5-3-2-4-6-12;1-18-10-5-7(3-4-9(10)14)12-8(13(17)19-2)6-11(16)15-12;1-18-9-4-6(2-3-8(9)13)11-7(12(16)17)5-10(15)14-11;1-16-9-4-6(2-3-7(9)12)11-8(13)5-10(15)14-11;/h2-9,15,18H,10-11H2,1H3,(H,21,24)(H,22,23);3-5,8,12H,6H2,1-2H3,(H,15,16);2-4,7,11H,5H2,1H3,(H,14,15)(H,16,17);2-4,8,11H,5,13H2,1H3,(H,14,15);1H4/t15-,18+;;7-,11?;8?,11-;/m0.01./s1.
What are the key properties of (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 1119.13 g/mol, XLogP of 6.33, 13 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;benzyl N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate;(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid;methane;methyl 2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 158327772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).