methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate

C14H18N2O5 — CID 104774421

IUPACmethyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H18N2O5/c1-19-11-5-3-4-9(12(11)15)13(17)16-6-7-21-8-10(16)14(18)20-2/h3-5,10H,6-8,15H2,1-2H3
InChIKeyQSQGAFHQUUDADF-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.29
Rot. Bonds3

About methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate

methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate (PubChem CID 104774421) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
PubChem CID104774421
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccc(OC)c1N
InChIInChI=1S/C14H18N2O5/c1-19-11-5-3-4-9(12(11)15)13(17)16-6-7-21-8-10(16)14(18)20-2/h3-5,10H,6-8,15H2,1-2H3
InChIKeyQSQGAFHQUUDADF-UHFFFAOYSA-N
XLogP0.29
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate 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-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(3-amino-2,6-difluorobenzoyl)morpholine-3-carboxylate
CID 104774422
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410
methyl 4-(pyrazolo[1,5-a]pyridine-3-carbonyl)morpholine-3-carboxylate
CID 103719037

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate (CID 104774421) is methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cccc(OC)c1N.
What is the InChIKey of methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate?
The InChIKey is QSQGAFHQUUDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-11-5-3-4-9(12(11)15)13(17)16-6-7-21-8-10(16)14(18)20-2/h3-5,10H,6-8,15H2,1-2H3.
What are the key properties of methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate?
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).