2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid

C20H22ClNO4 — CID 174702905

IUPAC2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(C)NC(C)(C(=O)O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClNO4/c1-4-26-18(23)13(2)22-20(3,19(24)25)16-11-10-15(12-17(16)21)14-8-6-5-7-9-14/h5-13,22H,4H2,1-3H3,(H,24,25)
InChIKeyQBSLGXZKYMINKT-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.85
Rot. Bonds7

About 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid

2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid (PubChem CID 174702905) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid
PubChem CID174702905
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(C)NC(C)(C(=O)O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClNO4/c1-4-26-18(23)13(2)22-20(3,19(24)25)16-11-10-15(12-17(16)21)14-8-6-5-7-9-14/h5-13,22H,4H2,1-3H3,(H,24,25)
InChIKeyQBSLGXZKYMINKT-UHFFFAOYSA-N
XLogP3.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
CID 131738265
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
ethyl 2-(2-chloro-4-phenylphenyl)-2-oxoacetate
CID 20515168
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl 3-oxo-2-(4-phenylbenzoyl)butanoate
CID 2756667
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
ethyl 3-benzylsulfanyl-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 57220112
(2S)-2-[[(2R)-3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
CID 70386467

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid?
The IUPAC name of 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid (CID 174702905) is 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid is CCOC(=O)C(C)NC(C)(C(=O)O)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid?
The InChIKey is QBSLGXZKYMINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-4-26-18(23)13(2)22-20(3,19(24)25)16-11-10-15(12-17(16)21)14-8-6-5-7-9-14/h5-13,22H,4H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid?
2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid has a molecular weight of 375.85 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 174702905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).