(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid

C15H23NO3 — CID 98822896

IUPAC(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C[C@H](C(=O)O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)14(15(17)18)11-12-7-9-13(10-8-12)19-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyYYBPGVBMBLXCGQ-CQSZACIVSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds8

About (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid

(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid (PubChem CID 98822896) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid
PubChem CID98822896
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C[C@H](C(=O)O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)14(15(17)18)11-12-7-9-13(10-8-12)19-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyYYBPGVBMBLXCGQ-CQSZACIVSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic 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

(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
3-(4-ethoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 163151307
(2R)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(4-ethoxyphenyl)propanoic acid
CID 100557107
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
(2S)-2-(dibenzylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 10575593
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
(2S)-3-(4-ethoxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138647481
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid (CID 98822896) is (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(C[C@H](C(=O)O)N(CC)CC)cc1.
What is the InChIKey of (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid?
The InChIKey is YYBPGVBMBLXCGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)14(15(17)18)11-12-7-9-13(10-8-12)19-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid?
(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 98822896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).