2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid

C11H13NO4 — CID 136783093

IUPAC2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
SMILESCOc1cccc(/C(C)=N/CC(=O)O)c1O
InChIInChI=1S/C11H13NO4/c1-7(12-6-10(13)14)8-4-3-5-9(16-2)11(8)15/h3-5,15H,6H2,1-2H3,(H,13,14)/b12-7+
InChIKeyZCMDPOMVVWUBAR-KPKJPENVSA-N
MW223.23 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid

2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid (PubChem CID 136783093) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
PubChem CID136783093
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
SMILESCOc1cccc(/C(C)=N/CC(=O)O)c1O
InChIInChI=1S/C11H13NO4/c1-7(12-6-10(13)14)8-4-3-5-9(16-2)11(8)15/h3-5,15H,6H2,1-2H3,(H,13,14)/b12-7+
InChIKeyZCMDPOMVVWUBAR-KPKJPENVSA-N
XLogP1.29
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
1-(2-hydroxy-3-methoxyphenyl)-3-methylbut-2-en-1-one
CID 13480864
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
CID 141355227
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
2-(N-ethyl-C-methylcarbonimidoyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenol
CID 137151519

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid (CID 136783093) is 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid is COc1cccc(/C(C)=N/CC(=O)O)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid?
The InChIKey is ZCMDPOMVVWUBAR-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(12-6-10(13)14)8-4-3-5-9(16-2)11(8)15/h3-5,15H,6H2,1-2H3,(H,13,14)/b12-7+.
What are the key properties of 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid?
2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid is sourced from PubChem (CID 136783093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).