(2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid

C57H66F14N8O16 — CID 163696398

About (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid

(2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid (PubChem CID 163696398) has the molecular formula C57H66F14N8O16 and a molecular weight of 1385.17 g/mol. Its IUPAC name is (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
• PubChem CID: 163696398
• Molecular Formula: C57H66F14N8O16
• Molecular Weight: 1385.17 g/mol
• Exact Mass: 1384.44
• IUPAC Name: (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
• SMILES: COC(=O)C(F)(F)C(F)(F)OC.COC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)O.COC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)c1c[nH]c2ccccc12.C[C@@H](N)C(=O)O.C[C@@H](NC(=O)C(F)(F)CO)C(=O)c1c[nH]c2ccccc12.O=CN1CCCC1.c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C15H14F4N2O3.C14H14F2N2O3.C8H7N.C7H9F4NO4.C5H6F4O3.C5H9NO.C3H7NO2/c1-8(21-13(23)14(16,17)15(18,19)24-2)12(22)10-7-20-11-6-4-3-5-9(10)11;1-8(18-13(21)14(15,16)7-19)12(20)10-6-17-11-5-3-2-4-9(10)11;1-2-4-8-7(3-1)5-6-9-8;1-3(4(13)14)12-5(15)6(8,9)7(10,11)16-2;1-11-3(10)4(6,7)5(8,9)12-2;7-5-6-3-1-2-4-6;1-2(4)3(5)6/h3-8,20H,1-2H3,(H,21,23);2-6,8,17,19H,7H2,1H3,(H,18,21);1-6,9H;3H,1-2H3,(H,12,15)(H,13,14);1-2H3;5H,1-4H2;2H,4H2,1H3,(H,5,6)/t2*8-;;3-;;;2-/m11.1..1/s1
• InChIKey: JXIMVSHDLRSUPL-ULOCAPRCSA-N
• XLogP: 7.52
• TPSA: 363.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1385.17
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?

The IUPAC name of (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid (CID 163696398) is (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid.

What is the SMILES notation for (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?

The canonical SMILES for (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid is COC(=O)C(F)(F)C(F)(F)OC.COC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)O.COC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)c1c[nH]c2ccccc12.C[C@@H](N)C(=O)O.C[C@@H](NC(=O)C(F)(F)CO)C(=O)c1c[nH]c2ccccc12.O=CN1CCCC1.c1ccc2[nH]ccc2c1.

What is the InChIKey of (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?

The InChIKey is JXIMVSHDLRSUPL-ULOCAPRCSA-N. The full InChI is InChI=1S/C15H14F4N2O3.C14H14F2N2O3.C8H7N.C7H9F4NO4.C5H6F4O3.C5H9NO.C3H7NO2/c1-8(21-13(23)14(16,17)15(18,19)24-2)12(22)10-7-20-11-6-4-3-5-9(10)11;1-8(18-13(21)14(15,16)7-19)12(20)10-6-17-11-5-3-2-4-9(10)11;1-2-4-8-7(3-1)5-6-9-8;1-3(4(13)14)12-5(15)6(8,9)7(10,11)16-2;1-11-3(10)4(6,7)5(8,9)12-2;7-5-6-3-1-2-4-6;1-2(4)3(5)6/h3-8,20H,1-2H3,(H,21,23);2-6,8,17,19H,7H2,1H3,(H,18,21);1-6,9H;3H,1-2H3,(H,12,15)(H,13,14);1-2H3;5H,1-4H2;2H,4H2,1H3,(H,5,6)/t2*8-;;3-;;;2-/m11.1..1/s1.

What are the key properties of (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?

(2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid has a molecular weight of 1385.17 g/mol, XLogP of 7.52, 21 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-aminopropanoic acid;2,2-difluoro-3-hydroxy-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide;1H-indole;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate;pyrrolidine-1-carbaldehyde;2,2,3,3-tetrafluoro-N-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methoxypropanamide;(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid is sourced from PubChem (CID 163696398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).