benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine

C160H207B2N11O16 — CID 159091077

About benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine

benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine (PubChem CID 159091077) has the molecular formula C160H207B2N11O16 and a molecular weight of 2562.10 g/mol. Its IUPAC name is benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine
• PubChem CID: 159091077
• Molecular Formula: C160H207B2N11O16
• Molecular Weight: 2562.10 g/mol
• Exact Mass: 2560.59
• IUPAC Name: benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine
• SMILES: CC(=O)c1ccc(C(C)C)cn1.CC(C)C1OB(O)c2cc(NC(=O)OCc3ccccc3)ccc21.CC(C)C1OB(O)c2ccccc21.CC(C)c1ccc(CN)nc1.CC(C)c1cccc(C2CN(Cc3ccccc3)C[C@@H]2C)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)C(C)C)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)Cc2ccccc2)c1.CC(C)c1cncc(CCC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1.CCc1ccc(C(C)C)cn1.COC(=O)[C@H]1CN(Cc2ccccc2)CC1c1ccc(C(C)C)cc1.O=C=O
• InChI: InChI=1S/C23H28N2O3.C22H27NO2.C21H27N.C20H25NO.C18H20BNO4.C16H25NO.C10H13BO2.C10H13NO.C10H15N.C9H14N2.CO2/c1-17(2)20-13-19(14-24-15-20)10-11-22(26)21-9-6-12-25(21)23(27)28-16-18-7-4-3-5-8-18;1-16(2)18-9-11-19(12-10-18)20-14-23(15-21(20)22(24)25-3)13-17-7-5-4-6-8-17;1-16(2)19-10-7-11-20(12-19)21-15-22(13-17(21)3)14-18-8-5-4-6-9-18;1-15(2)19-12-18(13-21-14-19)9-10-20(22)16(3)11-17-7-5-4-6-8-17;1-12(2)17-15-9-8-14(10-16(15)19(22)24-17)20-18(21)23-11-13-6-4-3-5-7-13;1-11(2)13(5)16(18)7-6-14-8-15(12(3)4)10-17-9-14;1-7(2)10-8-5-3-4-6-9(8)11(12)13-10;1-7(2)9-4-5-10(8(3)12)11-6-9;1-4-10-6-5-9(7-11-10)8(2)3;1-7(2)8-3-4-9(5-10)11-6-8;2-1-3/h3-5,7-8,13-15,17,21H,6,9-12,16H2,1-2H3;4-12,16,20-21H,13-15H2,1-3H3;4-12,16-17,21H,13-15H2,1-3H3;4-8,12-16H,9-11H2,1-3H3;3-10,12,17,22H,11H2,1-2H3,(H,20,21);8-13H,6-7H2,1-5H3;3-7,10,12H,1-2H3;4-7H,1-3H3;5-8H,4H2,1-3H3;3-4,6-7H,5,10H2,1-2H3;/t21-;20?,21-;17-,21?;16-;;13-;;;;;/m0000.0...../s1
• InChIKey: KCBHAGVCGKMDLG-OMCBTVRCSA-N
• XLogP: 32.54
• TPSA: 365.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2562.10
LogP ≤ 5	32.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine?

The IUPAC name of benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine (CID 159091077) is benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine.

What is the SMILES notation for benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine?

The canonical SMILES for benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine is CC(=O)c1ccc(C(C)C)cn1.CC(C)C1OB(O)c2cc(NC(=O)OCc3ccccc3)ccc21.CC(C)C1OB(O)c2ccccc21.CC(C)c1ccc(CN)nc1.CC(C)c1cccc(C2CN(Cc3ccccc3)C[C@@H]2C)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)C(C)C)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)Cc2ccccc2)c1.CC(C)c1cncc(CCC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1.CCc1ccc(C(C)C)cn1.COC(=O)[C@H]1CN(Cc2ccccc2)CC1c1ccc(C(C)C)cc1.O=C=O.

What is the InChIKey of benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine?

The InChIKey is KCBHAGVCGKMDLG-OMCBTVRCSA-N. The full InChI is InChI=1S/C23H28N2O3.C22H27NO2.C21H27N.C20H25NO.C18H20BNO4.C16H25NO.C10H13BO2.C10H13NO.C10H15N.C9H14N2.CO2/c1-17(2)20-13-19(14-24-15-20)10-11-22(26)21-9-6-12-25(21)23(27)28-16-18-7-4-3-5-8-18;1-16(2)18-9-11-19(12-10-18)20-14-23(15-21(20)22(24)25-3)13-17-7-5-4-6-8-17;1-16(2)19-10-7-11-20(12-19)21-15-22(13-17(21)3)14-18-8-5-4-6-9-18;1-15(2)19-12-18(13-21-14-19)9-10-20(22)16(3)11-17-7-5-4-6-8-17;1-12(2)17-15-9-8-14(10-16(15)19(22)24-17)20-18(21)23-11-13-6-4-3-5-7-13;1-11(2)13(5)16(18)7-6-14-8-15(12(3)4)10-17-9-14;1-7(2)10-8-5-3-4-6-9(8)11(12)13-10;1-7(2)9-4-5-10(8(3)12)11-6-9;1-4-10-6-5-9(7-11-10)8(2)3;1-7(2)8-3-4-9(5-10)11-6-8;2-1-3/h3-5,7-8,13-15,17,21H,6,9-12,16H2,1-2H3;4-12,16,20-21H,13-15H2,1-3H3;4-12,16-17,21H,13-15H2,1-3H3;4-8,12-16H,9-11H2,1-3H3;3-10,12,17,22H,11H2,1-2H3,(H,20,21);8-13H,6-7H2,1-5H3;3-7,10,12H,1-2H3;4-7H,1-3H3;5-8H,4H2,1-3H3;3-4,6-7H,5,10H2,1-2H3;/t21-;20?,21-;17-,21?;16-;;13-;;;;;/m0000.0...../s1.

What are the key properties of benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine?

benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine has a molecular weight of 2562.10 g/mol, XLogP of 32.54, 40 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-(1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborol-6-yl)carbamate;(3R)-1-benzyl-3-methyl-4-(3-propan-2-ylphenyl)pyrrolidine;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;carbon dioxide;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;methyl (3R)-1-benzyl-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;(5-propan-2-yl-2-pyridinyl)methanamine is sourced from PubChem (CID 159091077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).