2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid

C10H9NO5 — CID 129239099

IUPAC2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid
SMILESCOc1cccc(C(C(=O)O)C(=O)N=O)c1
InChIInChI=1S/C10H9NO5/c1-16-7-4-2-3-6(5-7)8(10(13)14)9(12)11-15/h2-5,8H,1H3,(H,13,14)
InChIKeyUYYNZFKOJJZYIV-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.16
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid

2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid (PubChem CID 129239099) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid
PubChem CID129239099
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid
SMILESCOc1cccc(C(C(=O)O)C(=O)N=O)c1
InChIInChI=1S/C10H9NO5/c1-16-7-4-2-3-6(5-7)8(10(13)14)9(12)11-15/h2-5,8H,1H3,(H,13,14)
InChIKeyUYYNZFKOJJZYIV-UHFFFAOYSA-N
XLogP1.16
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-(3-methoxyphenyl)-3-oxo-3-(1-phenylethoxy)propanoic acid
CID 129239076
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2-(3-methoxyphenyl)-3-(2-methylsulfonylethoxy)-3-oxopropanoic acid
CID 129239231
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid (CID 129239099) is 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid is COc1cccc(C(C(=O)O)C(=O)N=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid?
The InChIKey is UYYNZFKOJJZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-16-7-4-2-3-6(5-7)8(10(13)14)9(12)11-15/h2-5,8H,1H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid?
2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid has a molecular weight of 223.18 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid is sourced from PubChem (CID 129239099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).