(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid

C10H10N2O4 — CID 102524211

IUPAC(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\NC(=O)c1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H10N2O4/c1-6(10(15)16)11-12-9(14)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,12,14)(H,15,16)/b11-6+
InChIKeyANOGBGXFLPPNPS-IZZDOVSWSA-N
MW222.20 g/mol
LogP0.58
Rot. Bonds3

About (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid

(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid (PubChem CID 102524211) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
PubChem CID102524211
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\NC(=O)c1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H10N2O4/c1-6(10(15)16)11-12-9(14)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,12,14)(H,15,16)/b11-6+
InChIKeyANOGBGXFLPPNPS-IZZDOVSWSA-N
XLogP0.58
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
N-acetyl-3-hydroxybenzamide
CID 130011909
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid (CID 102524211) is (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid is C/C(=N\NC(=O)c1cccc(O)c1)C(=O)O.
What is the InChIKey of (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid?
The InChIKey is ANOGBGXFLPPNPS-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6(10(15)16)11-12-9(14)7-3-2-4-8(13)5-7/h2-5,13H,1H3,(H,12,14)(H,15,16)/b11-6+.
What are the key properties of (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid?
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid has a molecular weight of 222.20 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 102524211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).