1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate

C94H118N10O15 — CID 159372406

About 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate

1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate (PubChem CID 159372406) has the molecular formula C94H118N10O15 and a molecular weight of 1628.03 g/mol. Its IUPAC name is 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate
• PubChem CID: 159372406
• Molecular Formula: C94H118N10O15
• Molecular Weight: 1628.03 g/mol
• Exact Mass: 1626.88
• IUPAC Name: 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate
• SMILES: CCOC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CC1.COC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CCCC1.COC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CCCCC1.NC(Cc1c[nH]c2ccccc12)C(=O)CC1(C(=O)O)CCCC1.NC(Cc1c[nH]c2ccccc12)C(=O)CC1(C(=O)O)CCCCC1
• InChI: InChI=1S/C20H26N2O3.2C19H24N2O3.2C18H22N2O3/c1-25-19(24)20(9-5-2-6-10-20)12-18(23)16(21)11-14-13-22-17-8-4-3-7-15(14)17;1-24-18(23)19(8-4-5-9-19)11-17(22)15(20)10-13-12-21-16-7-3-2-6-14(13)16;20-15(10-13-12-21-16-7-3-2-6-14(13)16)17(22)11-19(18(23)24)8-4-1-5-9-19;1-2-23-17(22)18(7-8-18)10-16(21)14(19)9-12-11-20-15-6-4-3-5-13(12)15;19-14(9-12-11-20-15-6-2-1-5-13(12)15)16(21)10-18(17(22)23)7-3-4-8-18/h3-4,7-8,13,16,22H,2,5-6,9-12,21H2,1H3;2-3,6-7,12,15,21H,4-5,8-11,20H2,1H3;2-3,6-7,12,15,21H,1,4-5,8-11,20H2,(H,23,24);3-6,11,14,20H,2,7-10,19H2,1H3;1-2,5-6,11,14,20H,3-4,7-10,19H2,(H,22,23)
• InChIKey: LJXFFOBCSLRCTO-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 447.90 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.03
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate?

The IUPAC name of 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate (CID 159372406) is 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate.

What is the SMILES notation for 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate?

The canonical SMILES for 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate is CCOC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CC1.COC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CCCC1.COC(=O)C1(CC(=O)C(N)Cc2c[nH]c3ccccc23)CCCCC1.NC(Cc1c[nH]c2ccccc12)C(=O)CC1(C(=O)O)CCCC1.NC(Cc1c[nH]c2ccccc12)C(=O)CC1(C(=O)O)CCCCC1.

What is the InChIKey of 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate?

The InChIKey is LJXFFOBCSLRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.2C19H24N2O3.2C18H22N2O3/c1-25-19(24)20(9-5-2-6-10-20)12-18(23)16(21)11-14-13-22-17-8-4-3-7-15(14)17;1-24-18(23)19(8-4-5-9-19)11-17(22)15(20)10-13-12-21-16-7-3-2-6-14(13)16;20-15(10-13-12-21-16-7-3-2-6-14(13)16)17(22)11-19(18(23)24)8-4-1-5-9-19;1-2-23-17(22)18(7-8-18)10-16(21)14(19)9-12-11-20-15-6-4-3-5-13(12)15;19-14(9-12-11-20-15-6-2-1-5-13(12)15)16(21)10-18(17(22)23)7-3-4-8-18/h3-4,7-8,13,16,22H,2,5-6,9-12,21H2,1H3;2-3,6-7,12,15,21H,4-5,8-11,20H2,1H3;2-3,6-7,12,15,21H,1,4-5,8-11,20H2,(H,23,24);3-6,11,14,20H,2,7-10,19H2,1H3;1-2,5-6,11,14,20H,3-4,7-10,19H2,(H,22,23).

What are the key properties of 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate?

1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate has a molecular weight of 1628.03 g/mol, XLogP of 13.86, 31 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylic acid;1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylic acid;ethyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopropane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclohexane-1-carboxylate;methyl 1-[3-amino-4-(1H-indol-3-yl)-2-oxobutyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 159372406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).