2-amino-3-(4-arsanylphenyl)propanoic acid

C9H12AsNO2 — CID 173173215

IUPAC2-amino-3-(4-arsanylphenyl)propanoic acid
SMILESNC(Cc1ccc([AsH2])cc1)C(=O)O
InChIInChI=1S/C9H12AsNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChIKeyGOTXIUVWNMEEIM-UHFFFAOYSA-N
MW241.12 g/mol
LogP-1.10
Rot. Bonds3

About 2-amino-3-(4-arsanylphenyl)propanoic acid

2-amino-3-(4-arsanylphenyl)propanoic acid (PubChem CID 173173215) has the molecular formula C9H12AsNO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-amino-3-(4-arsanylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-arsanylphenyl)propanoic acid
PubChem CID173173215
Molecular FormulaC9H12AsNO2
Molecular Weight241.12 g/mol
Exact Mass241.01
IUPAC Name2-amino-3-(4-arsanylphenyl)propanoic acid
SMILESNC(Cc1ccc([AsH2])cc1)C(=O)O
InChIInChI=1S/C9H12AsNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChIKeyGOTXIUVWNMEEIM-UHFFFAOYSA-N
XLogP-1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-arsanylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-arsanylphenyl)propanoic acid (CID 173173215) is 2-amino-3-(4-arsanylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-arsanylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-arsanylphenyl)propanoic acid is NC(Cc1ccc([AsH2])cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-arsanylphenyl)propanoic acid?
The InChIKey is GOTXIUVWNMEEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12AsNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13).
What are the key properties of 2-amino-3-(4-arsanylphenyl)propanoic acid?
2-amino-3-(4-arsanylphenyl)propanoic acid has a molecular weight of 241.12 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-arsanylphenyl)propanoic acid is sourced from PubChem (CID 173173215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).