3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid

C11H14N2O4 — CID 154448738

IUPAC3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
SMILESCOC/C(N)=N\c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H14N2O4/c1-16-6-10(12)13-8-5-7(11(14)15)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyVZKNINWKEVTMHP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.03
Rot. Bonds5

About 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid

3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid (PubChem CID 154448738) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
PubChem CID154448738
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
SMILESCOC/C(N)=N\c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H14N2O4/c1-16-6-10(12)13-8-5-7(11(14)15)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyVZKNINWKEVTMHP-UHFFFAOYSA-N
XLogP1.03
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(1-amino-2-phenoxyethylidene)amino]-4-methoxybenzoate
CID 54202890
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate
CID 18364959
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
3-[(1-amino-2-chloroethylidene)amino]-4-(2,2-difluoroethoxy)benzoic acid
CID 169367608
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid (CID 154448738) is 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid is COC/C(N)=N\c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid?
The InChIKey is VZKNINWKEVTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-6-10(12)13-8-5-7(11(14)15)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid?
3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 154448738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).