(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver

C9H10AgN2O5 — CID 174523785

IUPAC(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver
SMILESN[C@@H](Cc1ccc(O[N+](=O)[O-])cc1)C(=O)O.[Ag]
InChIInChI=1S/C9H10N2O5.Ag/c10-8(9(12)13)5-6-1-3-7(4-2-6)16-11(14)15;/h1-4,8H,5,10H2,(H,12,13);/t8-;/m0./s1
InChIKeyVDTONYCSOHCCJH-QRPNPIFTSA-N
MW334.06 g/mol
LogP0.21
Rot. Bonds5

About (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver

(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver (PubChem CID 174523785) has the molecular formula C9H10AgN2O5 and a molecular weight of 334.06 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver
PubChem CID174523785
Molecular FormulaC9H10AgN2O5
Molecular Weight334.06 g/mol
Exact Mass332.96
IUPAC Name(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver
SMILESN[C@@H](Cc1ccc(O[N+](=O)[O-])cc1)C(=O)O.[Ag]
InChIInChI=1S/C9H10N2O5.Ag/c10-8(9(12)13)5-6-1-3-7(4-2-6)16-11(14)15;/h1-4,8H,5,10H2,(H,12,13);/t8-;/m0./s1
InChIKeyVDTONYCSOHCCJH-QRPNPIFTSA-N
XLogP0.21
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-phenylpropanoic acid;nitric acid
CID 54766272
(2S)-2-amino-3-(3-amino-4-nitrooxyphenyl)propanoic acid
CID 57259353
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-(4-nitrophenyl)propanoic acid;ethane;methane
CID 143611582
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328
(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
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
2-amino-3-[4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 70292963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver?
The IUPAC name of (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver (CID 174523785) is (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver.
What is the SMILES notation for (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver?
The canonical SMILES for (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver is N[C@@H](Cc1ccc(O[N+](=O)[O-])cc1)C(=O)O.[Ag].
What is the InChIKey of (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver?
The InChIKey is VDTONYCSOHCCJH-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10N2O5.Ag/c10-8(9(12)13)5-6-1-3-7(4-2-6)16-11(14)15;/h1-4,8H,5,10H2,(H,12,13);/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver?
(2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver has a molecular weight of 334.06 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-nitrooxyphenyl)propanoic acid;silver is sourced from PubChem (CID 174523785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).