(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid

C20H20N2O3 — CID 67360670

IUPAC(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1ccccc1CC(=O)N[C@@H](CC(=O)O)Cc1ccccc1C#N
InChIInChI=1S/C20H20N2O3/c1-14-6-2-3-7-15(14)11-19(23)22-18(12-20(24)25)10-16-8-4-5-9-17(16)13-21/h2-9,18H,10-12H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyHYCGPNAUOWRBFP-GOSISDBHSA-N
MW336.39 g/mol
LogP2.61
Rot. Bonds7

About (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid

(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 67360670) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
PubChem CID67360670
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1ccccc1CC(=O)N[C@@H](CC(=O)O)Cc1ccccc1C#N
InChIInChI=1S/C20H20N2O3/c1-14-6-2-3-7-15(14)11-19(23)22-18(12-20(24)25)10-16-8-4-5-9-17(16)13-21/h2-9,18H,10-12H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyHYCGPNAUOWRBFP-GOSISDBHSA-N
XLogP2.61
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic 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

3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
CID 67361266
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxobutanoic acid
CID 20558968
(3R)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 7009826
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
CID 61119098
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
2-(2-methylphenyl)acetic acid
CID 67440217
2-methyl-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 113415884
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid (CID 67360670) is (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid is Cc1ccccc1CC(=O)N[C@@H](CC(=O)O)Cc1ccccc1C#N.
What is the InChIKey of (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is HYCGPNAUOWRBFP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-6-2-3-7-15(14)11-19(23)22-18(12-20(24)25)10-16-8-4-5-9-17(16)13-21/h2-9,18H,10-12H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1.
What are the key properties of (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid?
(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 336.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 67360670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).