(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid

C26H26N2O5 — CID 162650596

IUPAC(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C26H26N2O5/c1-33-24-14-18(10-11-19(24)15-27-22(16-29)26(31)32)25(30)28-13-12-21-20(8-5-9-23(21)28)17-6-3-2-4-7-17/h2-11,14,22,27,29H,12-13,15-16H2,1H3,(H,31,32)/t22-/m1/s1
InChIKeyGQGCHFHGPRJENH-JOCHJYFZSA-N
MW446.50 g/mol
LogP3.10
Rot. Bonds8

About (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid

(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid (PubChem CID 162650596) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid
PubChem CID162650596
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C26H26N2O5/c1-33-24-14-18(10-11-19(24)15-27-22(16-29)26(31)32)25(30)28-13-12-21-20(8-5-9-23(21)28)17-6-3-2-4-7-17/h2-11,14,22,27,29H,12-13,15-16H2,1H3,(H,31,32)/t22-/m1/s1
InChIKeyGQGCHFHGPRJENH-JOCHJYFZSA-N
XLogP3.10
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid (CID 162650596) is (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid is COc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CN[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid?
The InChIKey is GQGCHFHGPRJENH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-33-24-14-18(10-11-19(24)15-27-22(16-29)26(31)32)25(30)28-13-12-21-20(8-5-9-23(21)28)17-6-3-2-4-7-17/h2-11,14,22,27,29H,12-13,15-16H2,1H3,(H,31,32)/t22-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid?
(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid has a molecular weight of 446.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid is sourced from PubChem (CID 162650596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).