ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate

C19H22ClNO3 — CID 67208813

IUPACethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
SMILESCCOC(=O)[C@H](OC)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-24-19(22)18(23-2)17(21)11-13-7-9-14(10-8-13)15-5-4-6-16(20)12-15/h4-10,12,17-18H,3,11,21H2,1-2H3/t17?,18-/m1/s1
InChIKeyNTHZDBGSNJMSLR-QRWMCTBCSA-N
MW347.84 g/mol
LogP3.45
Rot. Bonds7

About ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate

ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate (PubChem CID 67208813) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate.

Molecular Properties

Compound Nameethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
PubChem CID67208813
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Nameethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
SMILESCCOC(=O)[C@H](OC)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-24-19(22)18(23-2)17(21)11-13-7-9-14(10-8-13)15-5-4-6-16(20)12-15/h4-10,12,17-18H,3,11,21H2,1-2H3/t17?,18-/m1/s1
InChIKeyNTHZDBGSNJMSLR-QRWMCTBCSA-N
XLogP3.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloromethane;ethyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate;ethyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 159184442
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
CID 141436142
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
chloromethane;methyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate;methyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate
CID 159151888
chloromethane;methyl (3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate;methyl (3R)-4-[4-(3-chlorophenyl)phenyl]-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 158767024
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethoxycarbonyloxymethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 129017032
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 68754713
4-[[(2S,4R)-1-[4-(3-chlorophenyl)phenyl]-5-ethoxy-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 68756903
(2S,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 155105000
ethyl (3R)-4-[4-(3-chlorophenyl)phenyl]-3-[[2-(2-ethoxy-2-oxoethoxy)acetyl]amino]butanoate
CID 151983451

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate?
The IUPAC name of ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate (CID 67208813) is ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate.
What is the SMILES notation for ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate?
The canonical SMILES for ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate is CCOC(=O)[C@H](OC)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate?
The InChIKey is NTHZDBGSNJMSLR-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-24-19(22)18(23-2)17(21)11-13-7-9-14(10-8-13)15-5-4-6-16(20)12-15/h4-10,12,17-18H,3,11,21H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate?
ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate has a molecular weight of 347.84 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate is sourced from PubChem (CID 67208813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).