tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid

C63H90N8O9 — CID 158620296

About tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid

tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid (PubChem CID 158620296) has the molecular formula C63H90N8O9 and a molecular weight of 1103.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid
• PubChem CID: 158620296
• Molecular Formula: C63H90N8O9
• Molecular Weight: 1103.46 g/mol
• Exact Mass: 1102.68
• IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3ccc(C)c4ccccc34)C21)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CCC2CCC(N)C21)C(C)(C)C)N(C)C(=O)OC(C)(C)C.Cc1ccc(C(=O)O)c2ccccc12
• InChI: InChI=1S/C29H40N4O3.C22H40N4O4.C12H10O2/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6;1-13(25(8)20(29)30-22(5,6)7)18(27)24-17(21(2,3)4)19(28)26-12-11-14-9-10-15(23)16(14)26;1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34);13-17H,9-12,23H2,1-8H3,(H,24,27);2-7H,1H3,(H,13,14)/t18-,19?,23?,24?,25+;13-,14?,15?,16?,17+;/m00./s1
• InChIKey: HXXHNQWFCUBEMR-XIEYRPLGSA-N
• XLogP: 8.35
• TPSA: 232.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.46
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid?

The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid (CID 158620296) is tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid?

The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3ccc(C)c4ccccc34)C21)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CCC2CCC(N)C21)C(C)(C)C)N(C)C(=O)OC(C)(C)C.Cc1ccc(C(=O)O)c2ccccc12.

What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid?

The InChIKey is HXXHNQWFCUBEMR-XIEYRPLGSA-N. The full InChI is InChI=1S/C29H40N4O3.C22H40N4O4.C12H10O2/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6;1-13(25(8)20(29)30-22(5,6)7)18(27)24-17(21(2,3)4)19(28)26-12-11-14-9-10-15(23)16(14)26;1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34);13-17H,9-12,23H2,1-8H3,(H,24,27);2-7H,1H3,(H,13,14)/t18-,19?,23?,24?,25+;13-,14?,15?,16?,17+;/m00./s1.

What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid?

tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid has a molecular weight of 1103.46 g/mol, XLogP of 8.35, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[(2S)-1-(6-amino-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide;4-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 158620296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).