(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate

C161H189N13O36 — CID 159160444

IUPAC(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
SMILESCOC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cncn1[C@H](C)c1ccccc1.COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CC1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C
InChIInChI=1S/C19H23NO4.2C18H22N2O4.4C18H21NO4.C17H18N2O4.C17H20N2O4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;2*1-12(2)16(18(22)23-4)24-17(21)15-10-19-11-20(15)13(3)14-8-6-5-7-9-14;2*1-13(17(20)22-3)12-23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;1-12(13-6-4-3-5-7-13)19-11-18-10-14(19)15(20)23-17(8-9-17)16(21)22-2;1-12(13-8-6-5-7-9-13)19-11-18-10-14(19)15(20)23-17(2,3)16(21)22-4/h5-12,14H,13H2,1-4H3;2*5-13,16H,1-4H3;4*4-11,13-14H,12H2,1-3H3;3-7,10-12H,8-9H2,1-2H3;5-12H,1-4H3/t14-;13-,16+;13-,16-;13-,14+;13-,14-;13-,14+;13-,14-;2*12-/m111010111/s1
InChIKeyKKKNYLCLPWIPAS-SQHLXSFDSA-N
MW2882.34 g/mol
LogP26.64
Rot. Bonds52

About (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate

(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (PubChem CID 159160444) has the molecular formula C161H189N13O36 and a molecular weight of 2882.34 g/mol. Its IUPAC name is (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
PubChem CID159160444
Molecular FormulaC161H189N13O36
Molecular Weight2882.34 g/mol
Exact Mass2880.34
IUPAC Name(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
SMILESCOC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cncn1[C@H](C)c1ccccc1.COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CC1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C
InChIInChI=1S/C19H23NO4.2C18H22N2O4.4C18H21NO4.C17H18N2O4.C17H20N2O4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;2*1-12(2)16(18(22)23-4)24-17(21)15-10-19-11-20(15)13(3)14-8-6-5-7-9-14;2*1-13(17(20)22-3)12-23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;1-12(13-6-4-3-5-7-13)19-11-18-10-14(19)15(20)23-17(8-9-17)16(21)22-2;1-12(13-8-6-5-7-9-13)19-11-18-10-14(19)15(20)23-17(2,3)16(21)22-4/h5-12,14H,13H2,1-4H3;2*5-13,16H,1-4H3;4*4-11,13-14H,12H2,1-3H3;3-7,10-12H,8-9H2,1-2H3;5-12H,1-4H3/t14-;13-,16+;13-,16-;13-,14+;13-,14-;13-,14+;13-,14-;2*12-/m111010111/s1
InChIKeyKKKNYLCLPWIPAS-SQHLXSFDSA-N
XLogP26.64
TPSA569.33 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds52
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002882.34
LogP ≤ 526.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The IUPAC name of (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (CID 159160444) is (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.
What is the SMILES notation for (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The canonical SMILES for (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is COC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cncn1[C@H](C)c1ccccc1.COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CC1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](OC(=O)c1cncn1[C@H](C)c1ccccc1)C(C)C.
What is the InChIKey of (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The InChIKey is KKKNYLCLPWIPAS-SQHLXSFDSA-N. The full InChI is InChI=1S/C19H23NO4.2C18H22N2O4.4C18H21NO4.C17H18N2O4.C17H20N2O4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;2*1-12(2)16(18(22)23-4)24-17(21)15-10-19-11-20(15)13(3)14-8-6-5-7-9-14;2*1-13(17(20)22-3)12-23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;1-12(13-6-4-3-5-7-13)19-11-18-10-14(19)15(20)23-17(8-9-17)16(21)22-2;1-12(13-8-6-5-7-9-13)19-11-18-10-14(19)15(20)23-17(2,3)16(21)22-4/h5-12,14H,13H2,1-4H3;2*5-13,16H,1-4H3;4*4-11,13-14H,12H2,1-3H3;3-7,10-12H,8-9H2,1-2H3;5-12H,1-4H3/t14-;13-,16+;13-,16-;13-,14+;13-,14-;13-,14+;13-,14-;2*12-/m111010111/s1.
What are the key properties of (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate has a molecular weight of 2882.34 g/mol, XLogP of 26.64, 52 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 159160444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).