(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium

C11H11N2O3+ — CID 54601213

IUPAC(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium
SMILESN#[N+]/C=C(\O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H10N2O3/c12-13-7-10(14)9-4-1-8(2-5-9)3-6-11(15)16/h1-2,4-5,7H,3,6H2,(H-,14,15,16)/p+1/b10-7-
InChIKeyNZJDUFUHUNDMRX-YFHOEESVSA-O
MW219.22 g/mol
LogP2.41
Rot. Bonds4

About (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium

(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium (PubChem CID 54601213) has the molecular formula C11H11N2O3+ and a molecular weight of 219.22 g/mol. Its IUPAC name is (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium
PubChem CID54601213
Molecular FormulaC11H11N2O3+
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium
SMILESN#[N+]/C=C(\O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H10N2O3/c12-13-7-10(14)9-4-1-8(2-5-9)3-6-11(15)16/h1-2,4-5,7H,3,6H2,(H-,14,15,16)/p+1/b10-7-
InChIKeyNZJDUFUHUNDMRX-YFHOEESVSA-O
XLogP2.41
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-pent-2-en-3-ylphenyl)propanoic acid
CID 68735558
3-[4-(2-fluoro-2-oxoacetyl)phenyl]propanoic acid
CID 167258997
3-[4-[(Z)-but-2-enoyl]phenyl]propanoic acid
CID 129322720
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-(2-carboxyethyl)phenolate
CID 101364536
4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
CID 24834554
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[4-(3-methylbutanoyl)phenyl]propanoic acid
CID 94686145
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium?
The IUPAC name of (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium (CID 54601213) is (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium.
What is the SMILES notation for (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium?
The canonical SMILES for (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium is N#[N+]/C=C(\O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium?
The InChIKey is NZJDUFUHUNDMRX-YFHOEESVSA-O. The full InChI is InChI=1S/C11H10N2O3/c12-13-7-10(14)9-4-1-8(2-5-9)3-6-11(15)16/h1-2,4-5,7H,3,6H2,(H-,14,15,16)/p+1/b10-7-.
What are the key properties of (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium?
(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium has a molecular weight of 219.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium is sourced from PubChem (CID 54601213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).