(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid

C17H18ClNO3 — CID 141436142

IUPAC(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
SMILESCO[C@@H](C(=O)O)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-22-16(17(20)21)15(19)9-11-5-7-12(8-6-11)13-3-2-4-14(18)10-13/h2-8,10,15-16H,9,19H2,1H3,(H,20,21)/t15?,16-/m1/s1
InChIKeyAZLUTHDFHUOYPJ-OEMAIJDKSA-N
MW319.79 g/mol
LogP2.98
Rot. Bonds6

About (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid

(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid (PubChem CID 141436142) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid.

Molecular Properties

Compound Name(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
PubChem CID141436142
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
SMILESCO[C@@H](C(=O)O)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-22-16(17(20)21)15(19)9-11-5-7-12(8-6-11)13-3-2-4-14(18)10-13/h2-8,10,15-16H,9,19H2,1H3,(H,20,21)/t15?,16-/m1/s1
InChIKeyAZLUTHDFHUOYPJ-OEMAIJDKSA-N
XLogP2.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 67208813
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
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
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoic acid
CID 58280522
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
(2S,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 155105000
(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
CID 59607810
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid?
The IUPAC name of (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid (CID 141436142) is (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid.
What is the SMILES notation for (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid?
The canonical SMILES for (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid is CO[C@@H](C(=O)O)C(N)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid?
The InChIKey is AZLUTHDFHUOYPJ-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-22-16(17(20)21)15(19)9-11-5-7-12(8-6-11)13-3-2-4-14(18)10-13/h2-8,10,15-16H,9,19H2,1H3,(H,20,21)/t15?,16-/m1/s1.
What are the key properties of (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid?
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid has a molecular weight of 319.79 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid is sourced from PubChem (CID 141436142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).