dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate

C11H13NO5 — CID 91737513

IUPACdimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)OC)c1N
InChIInChI=1S/C11H13NO5/c1-15-6-4-7(10(13)16-2)9(12)8(5-6)11(14)17-3/h4-5H,12H2,1-3H3
InChIKeyQVZFCFJKEHANNR-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.85
Rot. Bonds3

About dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate

dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate (PubChem CID 91737513) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
PubChem CID91737513
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namedimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)OC)c1N
InChIInChI=1S/C11H13NO5/c1-15-6-4-7(10(13)16-2)9(12)8(5-6)11(14)17-3/h4-5H,12H2,1-3H3
InChIKeyQVZFCFJKEHANNR-UHFFFAOYSA-N
XLogP0.85
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 3-(carbamothioylamino)-2-hydroxy-5-methoxybenzoate
CID 169357737
dimethyl 2-amino-5-nitrobenzene-1,3-dicarboxylate
CID 154210307
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-3-methoxy-5-methylsulfanylbenzoate
CID 107367702
methyl 3-bromo-2-cyano-5-methoxybenzoate
CID 131390372

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate (CID 91737513) is dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate is COC(=O)c1cc(OC)cc(C(=O)OC)c1N.
What is the InChIKey of dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate?
The InChIKey is QVZFCFJKEHANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-6-4-7(10(13)16-2)9(12)8(5-6)11(14)17-3/h4-5H,12H2,1-3H3.
What are the key properties of dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate?
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate has a molecular weight of 239.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 91737513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).