(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid

C23H26N2O3 — CID 167922080

IUPAC(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1CC2CCC(C2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C23H26N2O3/c26-22(24-20(23(27)28)13-16-6-2-1-3-7-16)15-25-14-17-10-11-18(12-17)19-8-4-5-9-21(19)25/h1-9,17-18,20H,10-15H2,(H,24,26)(H,27,28)/t17?,18?,20-/m1/s1
InChIKeyZDSYVGYIAPANGR-AFMYVXGZSA-N
MW378.47 g/mol
LogP3.20
Rot. Bonds6

About (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid

(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 167922080) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID167922080
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1CC2CCC(C2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C23H26N2O3/c26-22(24-20(23(27)28)13-16-6-2-1-3-7-16)15-25-14-17-10-11-18(12-17)19-8-4-5-9-21(19)25/h1-9,17-18,20H,10-15H2,(H,24,26)(H,27,28)/t17?,18?,20-/m1/s1
InChIKeyZDSYVGYIAPANGR-AFMYVXGZSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
CID 166366691
(2R)-2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367288
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 103804375
(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid
CID 15045083
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119136626
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid (CID 167922080) is (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid is O=C(CN1CC2CCC(C2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ZDSYVGYIAPANGR-AFMYVXGZSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(24-20(23(27)28)13-16-6-2-1-3-7-16)15-25-14-17-10-11-18(12-17)19-8-4-5-9-21(19)25/h1-9,17-18,20H,10-15H2,(H,24,26)(H,27,28)/t17?,18?,20-/m1/s1.
What are the key properties of (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 378.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(8-azatricyclo[8.2.1.02,7]trideca-2,4,6-trien-8-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 167922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).