(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid

C11H13NO3 — CID 150517437

IUPAC(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
SMILESCC(=O)c1cccc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-7(13)9-4-2-3-8(5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyIBCKYXVMEMSMQM-SNVBAGLBSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds4

About (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid

(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid (PubChem CID 150517437) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
PubChem CID150517437
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
SMILESCC(=O)c1cccc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-7(13)9-4-2-3-8(5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyIBCKYXVMEMSMQM-SNVBAGLBSA-N
XLogP0.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
CID 175398480
(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
CID 71685854
(2R)-2-amino-3-[3-(N'-hydroxycarbamimidoyl)phenyl]propanoic acid
CID 173140434
(2S)-2-amino-3-[3-(tert-butylcarbamoyl)phenyl]propanoic acid
CID 139521017
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2S)-2-acetamido-3-(3-acetylphenyl)propanoic acid
CID 167735603
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid?
The IUPAC name of (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid (CID 150517437) is (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid.
What is the SMILES notation for (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid?
The canonical SMILES for (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid is CC(=O)c1cccc(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid?
The InChIKey is IBCKYXVMEMSMQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)9-4-2-3-8(5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid?
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-acetylphenyl)-2-aminopropanoic acid is sourced from PubChem (CID 150517437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).