(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid

C20H23NO4 — CID 2259489

IUPAC(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccc(C(=O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-25-17-10-8-16(9-11-17)19(22)12-13-21-18(14-20(23)24)15-6-4-3-5-7-15/h3-11,18,21H,2,12-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyAFEQIBLYWDLARE-SFHVURJKSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds10

About (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid

(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid (PubChem CID 2259489) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid
PubChem CID2259489
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccc(C(=O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-25-17-10-8-16(9-11-17)19(22)12-13-21-18(14-20(23)24)15-6-4-3-5-7-15/h3-11,18,21H,2,12-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyAFEQIBLYWDLARE-SFHVURJKSA-N
XLogP3.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]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

3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
(3R)-3-(benzylsulfonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 1266545
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
1-(4-methoxyphenyl)-3-(pentylamino)-3-phenylpropan-1-one
CID 139795003
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid (CID 2259489) is (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid is CCOc1ccc(C(=O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid?
The InChIKey is AFEQIBLYWDLARE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-25-17-10-8-16(9-11-17)19(22)12-13-21-18(14-20(23)24)15-6-4-3-5-7-15/h3-11,18,21H,2,12-14H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid?
(3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 2259489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).