(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid

C130H159F3N16O17 — CID 158819726

IUPAC(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid
SMILESC=CCN(CCC[C@H](N)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.C=CCN(CCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.CCOC(=O)c1ccc(-n2cccc2)cc1.CCOC(=O)c1ccc(N)cc1.CN1C(=O)CC(=O)N(C)C1=O.COC1CCC(OC)O1.O=C(N[C@@H](CCCNC1C[C@H]1c1ccc(F)cc1)C(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1.O=C(O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C33H39FN4O2.C30H35FN4O2.C22H32FN3O.C13H13NO2.C11H9NO2.C9H11NO2.C6H8N2O3.C6H12O3/c1-2-18-37(31-24-29(31)25-10-14-27(34)15-11-25)23-8-9-30(33(40)38-21-4-3-5-22-38)35-32(39)26-12-16-28(17-13-26)36-19-6-7-20-36;31-24-12-8-22(9-13-24)26-21-28(26)32-16-6-7-27(30(37)35-19-2-1-3-20-35)33-29(36)23-10-14-25(15-11-23)34-17-4-5-18-34;1-2-12-25(21-16-19(21)17-8-10-18(23)11-9-17)15-6-7-20(24)22(27)26-13-4-3-5-14-26;1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14;13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-12-9(11)7-3-5-8(10)6-4-7;1-7-4(9)3-5(10)8(2)6(7)11;1-7-5-3-4-6(8-2)9-5/h2,6-7,10-17,19-20,29-31H,1,3-5,8-9,18,21-24H2,(H,35,39);4-5,8-15,17-18,26-28,32H,1-3,6-7,16,19-21H2,(H,33,36);2,8-11,19-21H,1,3-7,12-16,24H2;3-10H,2H2,1H3;1-8H,(H,13,14);3-6H,2,10H2,1H3;3H2,1-2H3;5-6H,3-4H2,1-2H3/t29-,30-,31+;26-,27-,28?;19-,20-,21+;;;;;/m000...../s1
InChIKeyIVSDFFDMIFHPDY-HAJDWOAOSA-N
MW2274.79 g/mol
LogP19.94
Rot. Bonds40

About (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid

(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid (PubChem CID 158819726) has the molecular formula C130H159F3N16O17 and a molecular weight of 2274.79 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid
PubChem CID158819726
Molecular FormulaC130H159F3N16O17
Molecular Weight2274.79 g/mol
Exact Mass2273.20
IUPAC Name(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid
SMILESC=CCN(CCC[C@H](N)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.C=CCN(CCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.CCOC(=O)c1ccc(-n2cccc2)cc1.CCOC(=O)c1ccc(N)cc1.CN1C(=O)CC(=O)N(C)C1=O.COC1CCC(OC)O1.O=C(N[C@@H](CCCNC1C[C@H]1c1ccc(F)cc1)C(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1.O=C(O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C33H39FN4O2.C30H35FN4O2.C22H32FN3O.C13H13NO2.C11H9NO2.C9H11NO2.C6H8N2O3.C6H12O3/c1-2-18-37(31-24-29(31)25-10-14-27(34)15-11-25)23-8-9-30(33(40)38-21-4-3-5-22-38)35-32(39)26-12-16-28(17-13-26)36-19-6-7-20-36;31-24-12-8-22(9-13-24)26-21-28(26)32-16-6-7-27(30(37)35-19-2-1-3-20-35)33-29(36)23-10-14-25(15-11-23)34-17-4-5-18-34;1-2-12-25(21-16-19(21)17-8-10-18(23)11-9-17)15-6-7-20(24)22(27)26-13-4-3-5-14-26;1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14;13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-12-9(11)7-3-5-8(10)6-4-7;1-7-4(9)3-5(10)8(2)6(7)11;1-7-5-3-4-6(8-2)9-5/h2,6-7,10-17,19-20,29-31H,1,3-5,8-9,18,21-24H2,(H,35,39);4-5,8-15,17-18,26-28,32H,1-3,6-7,16,19-21H2,(H,33,36);2,8-11,19-21H,1,3-7,12-16,24H2;3-10H,2H2,1H3;1-8H,(H,13,14);3-6H,2,10H2,1H3;3H2,1-2H3;5-6H,3-4H2,1-2H3/t29-,30-,31+;26-,27-,28?;19-,20-,21+;;;;;/m000...../s1
InChIKeyIVSDFFDMIFHPDY-HAJDWOAOSA-N
XLogP19.94
TPSA384.68 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.79
LogP ≤ 519.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic 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

dicesium;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[(5-cyclopropyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate;5-cyclopropyl-2-fluoropyridine;N-[4-[(3S)-3-[(5-cyclopropyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine;hydride;oxido formate;4-(prop-2-enoylamino)benzoic acid
CID 158085876
(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid
CID 158819723
(2S)-2-amino-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid
CID 158819727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid (CID 158819726) is (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid is C=CCN(CCC[C@H](N)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.C=CCN(CCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1.CCOC(=O)c1ccc(-n2cccc2)cc1.CCOC(=O)c1ccc(N)cc1.CN1C(=O)CC(=O)N(C)C1=O.COC1CCC(OC)O1.O=C(N[C@@H](CCCNC1C[C@H]1c1ccc(F)cc1)C(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1.O=C(O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid?
The InChIKey is IVSDFFDMIFHPDY-HAJDWOAOSA-N. The full InChI is InChI=1S/C33H39FN4O2.C30H35FN4O2.C22H32FN3O.C13H13NO2.C11H9NO2.C9H11NO2.C6H8N2O3.C6H12O3/c1-2-18-37(31-24-29(31)25-10-14-27(34)15-11-25)23-8-9-30(33(40)38-21-4-3-5-22-38)35-32(39)26-12-16-28(17-13-26)36-19-6-7-20-36;31-24-12-8-22(9-13-24)26-21-28(26)32-16-6-7-27(30(37)35-19-2-1-3-20-35)33-29(36)23-10-14-25(15-11-23)34-17-4-5-18-34;1-2-12-25(21-16-19(21)17-8-10-18(23)11-9-17)15-6-7-20(24)22(27)26-13-4-3-5-14-26;1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14;13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-12-9(11)7-3-5-8(10)6-4-7;1-7-4(9)3-5(10)8(2)6(7)11;1-7-5-3-4-6(8-2)9-5/h2,6-7,10-17,19-20,29-31H,1,3-5,8-9,18,21-24H2,(H,35,39);4-5,8-15,17-18,26-28,32H,1-3,6-7,16,19-21H2,(H,33,36);2,8-11,19-21H,1,3-7,12-16,24H2;3-10H,2H2,1H3;1-8H,(H,13,14);3-6H,2,10H2,1H3;3H2,1-2H3;5-6H,3-4H2,1-2H3/t29-,30-,31+;26-,27-,28?;19-,20-,21+;;;;;/m000...../s1.
What are the key properties of (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid?
(2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid has a molecular weight of 2274.79 g/mol, XLogP of 19.94, 40 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-piperidin-1-ylpentan-1-one;2,5-dimethoxyoxolane;1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethyl 4-aminobenzoate;ethyl 4-pyrrol-1-ylbenzoate;N-[(2S)-5-[[(2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-prop-2-enylamino]-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-pyrrol-1-ylbenzamide;4-pyrrol-1-ylbenzoic acid is sourced from PubChem (CID 158819726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).