3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid

C33H32F9N5O5 — CID 151095189

About 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid

3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid (PubChem CID 151095189) has the molecular formula C33H32F9N5O5 and a molecular weight of 749.63 g/mol. Its IUPAC name is 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid.

Molecular Properties

• Compound Name: 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid
• PubChem CID: 151095189
• Molecular Formula: C33H32F9N5O5
• Molecular Weight: 749.63 g/mol
• Exact Mass: 749.23
• IUPAC Name: 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid
• SMILES: CC[C@]1(N)C[C@@H](c2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCC(=O)O
• InChI: InChI=1S/C33H32F9N5O5/c1-2-30(43)16-23(28-24(3-4-25(45-28)33(40,41)42)47(30)29(50)52-8-5-26(48)49)27-19(14-22(17-44-27)46-6-9-51-10-7-46)11-18-12-20(31(34,35)36)15-21(13-18)32(37,38)39/h3-4,12-15,17,23H,2,5-11,16,43H2,1H3,(H,48,49)/t23-,30+/m0/s1
• InChIKey: MMYLQEFBXSBJMS-YUDQIZAISA-N
• XLogP: 6.98
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.63
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid?

The IUPAC name of 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid (CID 151095189) is 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid.

What is the SMILES notation for 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid?

The canonical SMILES for 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid is CC[C@]1(N)C[C@@H](c2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCC(=O)O.

What is the InChIKey of 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid?

The InChIKey is MMYLQEFBXSBJMS-YUDQIZAISA-N. The full InChI is InChI=1S/C33H32F9N5O5/c1-2-30(43)16-23(28-24(3-4-25(45-28)33(40,41)42)47(30)29(50)52-8-5-26(48)49)27-19(14-22(17-44-27)46-6-9-51-10-7-46)11-18-12-20(31(34,35)36)15-21(13-18)32(37,38)39/h3-4,12-15,17,23H,2,5-11,16,43H2,1H3,(H,48,49)/t23-,30+/m0/s1.

What are the key properties of 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid?

3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid has a molecular weight of 749.63 g/mol, XLogP of 6.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypropanoic acid is sourced from PubChem (CID 151095189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).