1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate

C11H11ClN2O4 — CID 130341905

IUPAC1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)O/N=C(/C)N
InChIInChI=1S/C11H11ClN2O4/c1-6(13)14-18-11(16)8-4-3-7(12)5-9(8)10(15)17-2/h3-5H,1-2H3,(H2,13,14)
InChIKeyDMAGIVQFLUFTBN-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.58
Rot. Bonds3

About 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate

1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate (PubChem CID 130341905) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate
PubChem CID130341905
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)O/N=C(/C)N
InChIInChI=1S/C11H11ClN2O4/c1-6(13)14-18-11(16)8-4-3-7(12)5-9(8)10(15)17-2/h3-5H,1-2H3,(H2,13,14)
InChIKeyDMAGIVQFLUFTBN-UHFFFAOYSA-N
XLogP1.58
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate
CID 146010462
methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
CID 146010455
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
methyl 5-chloro-2-(5-methoxy-5-oxopentanoyl)benzoate
CID 146010482
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
4-chloro-2-methoxycarbonylbenzoic acid;methyl 5-chloro-2-formylbenzoate
CID 162051052
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
methyl 5-chloro-2-isocyanobenzoate
CID 2769510
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908

Frequently Asked Questions

What is the IUPAC name of 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate?
The IUPAC name of 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate (CID 130341905) is 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate is COC(=O)c1cc(Cl)ccc1C(=O)O/N=C(/C)N.
What is the InChIKey of 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate?
The InChIKey is DMAGIVQFLUFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-6(13)14-18-11(16)8-4-3-7(12)5-9(8)10(15)17-2/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate?
1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate has a molecular weight of 270.67 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate is sourced from PubChem (CID 130341905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).