(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane

C118H190Cl3F2N17O21 — CID 157246477

About (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane

(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane (PubChem CID 157246477) has the molecular formula C118H190Cl3F2N17O21 and a molecular weight of 2327.27 g/mol. Its IUPAC name is (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane.

Molecular Properties

• Compound Name: (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane
• PubChem CID: 157246477
• Molecular Formula: C118H190Cl3F2N17O21
• Molecular Weight: 2327.27 g/mol
• Exact Mass: 2324.34
• IUPAC Name: (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane
• SMILES: C1CCOC1.C1CCOC1.CCCC[C@@H](N)CCC(C)=O.CCCC[C@@H](N)CO.CCCC[C@H](CCC(C)=O)NC(=O)OC(C)(C)C.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2cc(F)cnc12.CCCC[C@H](CN)NC(=O)OC(C)(C)C.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.CCCC[C@H](CO)NC(=O)OC(C)(C)C.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=C1NC(=O)c2ccccc21
• InChI: InChI=1S/C19H26N2O4.C16H20ClFN4O.C14H27NO3.C11H24N2O2.C11H23NO3.C9H13NO2.C9H19NO.C8H5NO2.C7H2Cl2FN3.C6H15NO.2C4H8O/c1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;1-3-4-5-12(7-6-10(2)23)20-15-14-13(21-16(17)22-15)8-11(18)9-19-14;1-6-7-8-12(10-9-11(2)16)15-13(17)18-14(3,4)5;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;1-5-6-7-9(8-13)12-10(14)15-11(2,3)4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;10-7-5-3-1-2-4-6(5)8(11)9-7;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-2-3-4-6(7)5-8;2*1-2-4-5-3-1/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);8-9,12H,3-7H2,1-2H3,(H,20,21,22);12H,6-10H2,1-5H3,(H,15,17);9H,5-8,12H2,1-4H3,(H,13,14);9,13H,5-8H2,1-4H3,(H,12,14);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-4H,(H,9,10,11);1-2H;6,8H,2-5,7H2,1H3;2*1-4H2/t13-;2*12-;2*9-;;9-;;;6-;;/m11111.1..1../s1
• InChIKey: AVVGHPZPIXEAMI-URQAQTESSA-N
• XLogP: 23.22
• TPSA: 558.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 44
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.27
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane?

The IUPAC name of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane (CID 157246477) is (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane.

What is the SMILES notation for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane?

The canonical SMILES for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane is C1CCOC1.C1CCOC1.CCCC[C@@H](N)CCC(C)=O.CCCC[C@@H](N)CO.CCCC[C@H](CCC(C)=O)NC(=O)OC(C)(C)C.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2cc(F)cnc12.CCCC[C@H](CN)NC(=O)OC(C)(C)C.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.CCCC[C@H](CO)NC(=O)OC(C)(C)C.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=C1NC(=O)c2ccccc21.

What is the InChIKey of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane?

The InChIKey is AVVGHPZPIXEAMI-URQAQTESSA-N. The full InChI is InChI=1S/C19H26N2O4.C16H20ClFN4O.C14H27NO3.C11H24N2O2.C11H23NO3.C9H13NO2.C9H19NO.C8H5NO2.C7H2Cl2FN3.C6H15NO.2C4H8O/c1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;1-3-4-5-12(7-6-10(2)23)20-15-14-13(21-16(17)22-15)8-11(18)9-19-14;1-6-7-8-12(10-9-11(2)16)15-13(17)18-14(3,4)5;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;1-5-6-7-9(8-13)12-10(14)15-11(2,3)4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;10-7-5-3-1-2-4-6(5)8(11)9-7;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-2-3-4-6(7)5-8;2*1-2-4-5-3-1/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);8-9,12H,3-7H2,1-2H3,(H,20,21,22);12H,6-10H2,1-5H3,(H,15,17);9H,5-8,12H2,1-4H3,(H,13,14);9,13H,5-8H2,1-4H3,(H,12,14);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-4H,(H,9,10,11);1-2H;6,8H,2-5,7H2,1H3;2*1-4H2/t13-;2*12-;2*9-;;9-;;;6-;;/m11111.1..1../s1.

What are the key properties of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane?

(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane has a molecular weight of 2327.27 g/mol, XLogP of 23.22, 44 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane is sourced from PubChem (CID 157246477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).