(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid

C26H26N2O3 — CID 166366691

IUPAC(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(CN1CCC(c2ccccc2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H26N2O3/c29-25(27-23(26(30)31)17-19-9-3-1-4-10-19)18-28-16-15-21(20-11-5-2-6-12-20)22-13-7-8-14-24(22)28/h1-14,21,23H,15-18H2,(H,27,29)(H,30,31)/t21?,23-/m1/s1
InChIKeyKUAGWICWGYUSQH-JFGZAKSSSA-N
MW414.51 g/mol
LogP3.84
Rot. Bonds7

About (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid

(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid (PubChem CID 166366691) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
PubChem CID166366691
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(CN1CCC(c2ccccc2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H26N2O3/c29-25(27-23(26(30)31)17-19-9-3-1-4-10-19)18-28-16-15-21(20-11-5-2-6-12-20)22-13-7-8-14-24(22)28/h1-14,21,23H,15-18H2,(H,27,29)(H,30,31)/t21?,23-/m1/s1
InChIKeyKUAGWICWGYUSQH-JFGZAKSSSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid (CID 166366691) is (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid is O=C(CN1CCC(c2ccccc2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is KUAGWICWGYUSQH-JFGZAKSSSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(27-23(26(30)31)17-19-9-3-1-4-10-19)18-28-16-15-21(20-11-5-2-6-12-20)22-13-7-8-14-24(22)28/h1-14,21,23H,15-18H2,(H,27,29)(H,30,31)/t21?,23-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid?
(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 414.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 166366691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).