(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid

C18H21NO2 — CID 141046981

IUPAC(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
SMILESO=C(O)[C@H](CCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18(21)17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,20,21)/t17-/m0/s1
InChIKeyGNXJHIQWUIKHCK-KRWDZBQOSA-N
MW283.37 g/mol
LogP2.90
Rot. Bonds8

About (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid

(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid (PubChem CID 141046981) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
PubChem CID141046981
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
SMILESO=C(O)[C@H](CCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18(21)17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,20,21)/t17-/m0/s1
InChIKeyGNXJHIQWUIKHCK-KRWDZBQOSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-phenyl-2-(2-phenylethylamino)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

(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
2-[(3-carboxy-3-methylsulfanylpropyl)amino]-4-phenylbutanoic acid
CID 70079893
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-(2-carboxyethylamino)-4-phenylbutanoic acid
CID 70073749
2-methyl-4-phenylbutanoic acid
CID 66896591
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
fermium;2-(oxomethylamino)-4-phenylbutanoic acid
CID 166481870
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
(2S)-2-[2-(4-tert-butylphenyl)ethylamino]-3-phenylpropanoic acid
CID 122037566
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid?
The IUPAC name of (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid (CID 141046981) is (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid.
What is the SMILES notation for (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid?
The canonical SMILES for (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid is O=C(O)[C@H](CCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid?
The InChIKey is GNXJHIQWUIKHCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(21)17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid?
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid is sourced from PubChem (CID 141046981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).