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

C11H14N2O3 — CID 135331594

IUPAC(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
SMILESCC(=O)Nc1cccc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-3-8(5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyHWYMVVQUAGTVFE-SNVBAGLBSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds4

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

(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid (PubChem CID 135331594) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
PubChem CID135331594
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
SMILESCC(=O)Nc1cccc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-3-8(5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyHWYMVVQUAGTVFE-SNVBAGLBSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-[3-(6-chlorohexanoylamino)phenyl]propanoic acid
CID 155319755
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid?
The IUPAC name of (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid (CID 135331594) is (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid.
What is the SMILES notation for (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid?
The canonical SMILES for (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid is CC(=O)Nc1cccc(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid?
The InChIKey is HWYMVVQUAGTVFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-3-8(5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid?
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid is sourced from PubChem (CID 135331594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).