2-benzyl-2-(ethylamino)-3-phenylpropanoic acid

C18H21NO2 — CID 43753784

IUPAC2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
SMILESCCNC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-2-19-18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H,20,21)
InChIKeyADULYQHGTJGGDK-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.90
Rot. Bonds7

About 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid

2-benzyl-2-(ethylamino)-3-phenylpropanoic acid (PubChem CID 43753784) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
PubChem CID43753784
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
SMILESCCNC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-2-19-18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H,20,21)
InChIKeyADULYQHGTJGGDK-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 2-benzyl-2-(ethylamino)-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

2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-benzyl-2-(sulfinoamino)hexanoic acid
CID 174440306
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
(2S)-2-benzyl-2-(methoxycarbonylamino)hex-4-enoic acid
CID 67916313
2-benzyl-2-hydroxybutanoic acid
CID 22013212
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(3-phenylpropanoylamino)butanoic acid
CID 68843476
(2S)-2-benzyl-2-(methoxycarbonylamino)pent-4-enoic acid
CID 67855850

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid (CID 43753784) is 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid is CCNC(Cc1ccccc1)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid?
The InChIKey is ADULYQHGTJGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-19-18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H,20,21).
What are the key properties of 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid?
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(ethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 43753784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).