(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride

C17H18ClNO3 — CID 71685854

IUPAC(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
SMILESCC(=O)c1cccc(-c2ccc(C[C@@H](N)C(=O)O)cc2)c1.Cl
InChIInChI=1S/C17H17NO3.ClH/c1-11(19)14-3-2-4-15(10-14)13-7-5-12(6-8-13)9-16(18)17(20)21;/h2-8,10,16H,9,18H2,1H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyCTRQTIFZXPXAAO-PKLMIRHRSA-N
MW319.79 g/mol
LogP2.93
Rot. Bonds5

About (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride

(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride (PubChem CID 71685854) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
PubChem CID71685854
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
SMILESCC(=O)c1cccc(-c2ccc(C[C@@H](N)C(=O)O)cc2)c1.Cl
InChIInChI=1S/C17H17NO3.ClH/c1-11(19)14-3-2-4-15(10-14)13-7-5-12(6-8-13)9-16(18)17(20)21;/h2-8,10,16H,9,18H2,1H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyCTRQTIFZXPXAAO-PKLMIRHRSA-N
XLogP2.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
3-[4-(2-aminobutyl)phenyl]benzoic acid
CID 170888400
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride?
The IUPAC name of (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride (CID 71685854) is (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride?
The canonical SMILES for (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride is CC(=O)c1cccc(-c2ccc(C[C@@H](N)C(=O)O)cc2)c1.Cl.
What is the InChIKey of (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride?
The InChIKey is CTRQTIFZXPXAAO-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H17NO3.ClH/c1-11(19)14-3-2-4-15(10-14)13-7-5-12(6-8-13)9-16(18)17(20)21;/h2-8,10,16H,9,18H2,1H3,(H,20,21);1H/t16-;/m1./s1.
What are the key properties of (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride?
(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride is sourced from PubChem (CID 71685854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).