(2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole

C83H102N12O11 — CID 159827611

About (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole

(2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole (PubChem CID 159827611) has the molecular formula C83H102N12O11 and a molecular weight of 1443.80 g/mol. Its IUPAC name is (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole.

Molecular Properties

• Compound Name: (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole
• PubChem CID: 159827611
• Molecular Formula: C83H102N12O11
• Molecular Weight: 1443.80 g/mol
• Exact Mass: 1442.78
• IUPAC Name: (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole
• SMILES: CC(=O)C1(C(CC(C)C)C(=O)O)CCCC1.CC(=O)C1([C@@H](CC(C)C)C(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCCC1.CC(=O)C1([C@@H](CC(C)C)C(=O)On2nnc3ccccc32)CCCC1.CN1C(=O)C(N)N=C(c2ccccc2)c2ccccc21.On1nnc2ccccc21
• InChI: InChI=1S/C29H35N3O3.C19H25N3O3.C16H15N3O.C13H22O3.C6H5N3O/c1-19(2)18-23(29(20(3)33)16-10-11-17-29)27(34)31-26-28(35)32(4)24-15-9-8-14-22(24)25(30-26)21-12-6-5-7-13-21;1-13(2)12-15(19(14(3)23)10-6-7-11-19)18(24)25-22-17-9-5-4-8-16(17)20-21-22;1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11;1-9(2)8-11(12(15)16)13(10(3)14)6-4-5-7-13;10-9-6-4-2-1-3-5(6)7-8-9/h5-9,12-15,19,23,26H,10-11,16-18H2,1-4H3,(H,31,34);4-5,8-9,13,15H,6-7,10-12H2,1-3H3;2-10,15H,17H2,1H3;9,11H,4-8H2,1-3H3,(H,15,16);1-4,10H/t23-,26?;15-;;;/m00.../s1
• InChIKey: NNAUZTALFAVFKQ-AWBQCUCFSA-N
• XLogP: 13.29
• TPSA: 316.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.80
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole?

The IUPAC name of (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole (CID 159827611) is (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole.

What is the SMILES notation for (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole?

The canonical SMILES for (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole is CC(=O)C1(C(CC(C)C)C(=O)O)CCCC1.CC(=O)C1([C@@H](CC(C)C)C(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCCC1.CC(=O)C1([C@@H](CC(C)C)C(=O)On2nnc3ccccc32)CCCC1.CN1C(=O)C(N)N=C(c2ccccc2)c2ccccc21.On1nnc2ccccc21.

What is the InChIKey of (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole?

The InChIKey is NNAUZTALFAVFKQ-AWBQCUCFSA-N. The full InChI is InChI=1S/C29H35N3O3.C19H25N3O3.C16H15N3O.C13H22O3.C6H5N3O/c1-19(2)18-23(29(20(3)33)16-10-11-17-29)27(34)31-26-28(35)32(4)24-15-9-8-14-22(24)25(30-26)21-12-6-5-7-13-21;1-13(2)12-15(19(14(3)23)10-6-7-11-19)18(24)25-22-17-9-5-4-8-16(17)20-21-22;1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11;1-9(2)8-11(12(15)16)13(10(3)14)6-4-5-7-13;10-9-6-4-2-1-3-5(6)7-8-9/h5-9,12-15,19,23,26H,10-11,16-18H2,1-4H3,(H,31,34);4-5,8-9,13,15H,6-7,10-12H2,1-3H3;2-10,15H,17H2,1H3;9,11H,4-8H2,1-3H3,(H,15,16);1-4,10H/t23-,26?;15-;;;/m00.../s1.

What are the key properties of (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole?

(2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole has a molecular weight of 1443.80 g/mol, XLogP of 13.29, 19 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1-acetylcyclopentyl)-4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pentanamide;(2R)-2-(1-acetylcyclopentyl)-4-methylpentanoic acid;3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;benzotriazol-1-yl (2R)-2-(1-acetylcyclopentyl)-4-methylpentanoate;1-hydroxybenzotriazole is sourced from PubChem (CID 159827611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).