tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde

C161H198N12O19 — CID 160598732

About tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde

tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde (PubChem CID 160598732) has the molecular formula C161H198N12O19 and a molecular weight of 2605.42 g/mol. Its IUPAC name is tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde
• PubChem CID: 160598732
• Molecular Formula: C161H198N12O19
• Molecular Weight: 2605.42 g/mol
• Exact Mass: 2603.49
• IUPAC Name: tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc2ccccc2c1.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2CC2CC=CCC2)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2CC2CCCCC2)cc1OC.O=Cc1ccc2ccccc2c1
• InChI: InChI=1S/C32H40N2O3.C32H38N2O3.C30H36N2O5.C25H28N2O3.C21H28N2O2.C11H8O.C10H20N2O2/c2*1-36-30-17-16-28(20-31(30)37-2)32(35)34(22-25-14-15-26-11-6-7-12-27(26)19-25)23-29-13-8-18-33(29)21-24-9-4-3-5-10-24;1-30(2,3)37-29(34)32-16-8-11-25(32)20-31(19-21-12-13-22-9-6-7-10-23(22)17-21)28(33)24-14-15-26(35-4)27(18-24)36-5;1-29-23-12-11-21(15-24(23)30-2)25(28)27(17-22-8-5-13-26-22)16-18-9-10-19-6-3-4-7-20(19)14-18;1-21(2,3)25-20(24)23-12-6-9-19(23)15-22-14-16-10-11-17-7-4-5-8-18(17)13-16;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h6-7,11-12,14-17,19-20,24,29H,3-5,8-10,13,18,21-23H2,1-2H3;3-4,6-7,11-12,14-17,19-20,24,29H,5,8-10,13,18,21-23H2,1-2H3;6-7,9-10,12-15,17-18,25H,8,11,16,19-20H2,1-5H3;3-4,6-7,9-12,14-15,22,26H,5,8,13,16-17H2,1-2H3;4-5,7-8,10-11,13,19,22H,6,9,12,14-15H2,1-3H3;1-8H;8H,4-7,11H2,1-3H3/t29-;24?,29-;25-;22-;19-;;8-/m00000.0/s1
• InChIKey: RDZITFIGJZSNPX-KZGBCYOVSA-N
• XLogP: 31.34
• TPSA: 317.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.42
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde?

The IUPAC name of tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde (CID 160598732) is tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde.

What is the SMILES notation for tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde?

The canonical SMILES for tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde is CC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc2ccccc2c1.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2CC2CC=CCC2)cc1OC.COc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C[C@@H]2CCCN2CC2CCCCC2)cc1OC.O=Cc1ccc2ccccc2c1.

What is the InChIKey of tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde?

The InChIKey is RDZITFIGJZSNPX-KZGBCYOVSA-N. The full InChI is InChI=1S/C32H40N2O3.C32H38N2O3.C30H36N2O5.C25H28N2O3.C21H28N2O2.C11H8O.C10H20N2O2/c2*1-36-30-17-16-28(20-31(30)37-2)32(35)34(22-25-14-15-26-11-6-7-12-27(26)19-25)23-29-13-8-18-33(29)21-24-9-4-3-5-10-24;1-30(2,3)37-29(34)32-16-8-11-25(32)20-31(19-21-12-13-22-9-6-7-10-23(22)17-21)28(33)24-14-15-26(35-4)27(18-24)36-5;1-29-23-12-11-21(15-24(23)30-2)25(28)27(17-22-8-5-13-26-22)16-18-9-10-19-6-3-4-7-20(19)14-18;1-21(2,3)25-20(24)23-12-6-9-19(23)15-22-14-16-10-11-17-7-4-5-8-18(17)13-16;12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h6-7,11-12,14-17,19-20,24,29H,3-5,8-10,13,18,21-23H2,1-2H3;3-4,6-7,11-12,14-17,19-20,24,29H,5,8-10,13,18,21-23H2,1-2H3;6-7,9-10,12-15,17-18,25H,8,11,16,19-20H2,1-5H3;3-4,6-7,9-12,14-15,22,26H,5,8,13,16-17H2,1-2H3;4-5,7-8,10-11,13,19,22H,6,9,12,14-15H2,1-3H3;1-8H;8H,4-7,11H2,1-3H3/t29-;24?,29-;25-;22-;19-;;8-/m00000.0/s1.

What are the key properties of tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde?

tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde has a molecular weight of 2605.42 g/mol, XLogP of 31.34, 38 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde is sourced from PubChem (CID 160598732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).