methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate

C13H18N2O3 — CID 112577662

IUPACmethyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1cccc(N)c1N1CCOC(C)C1
InChIInChI=1S/C13H18N2O3/c1-9-8-15(6-7-18-9)12-10(13(16)17-2)4-3-5-11(12)14/h3-5,9H,6-8,14H2,1-2H3
InChIKeyYQJPTIAOMILXSR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.28
Rot. Bonds2

About methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate

methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate (PubChem CID 112577662) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate
PubChem CID112577662
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1cccc(N)c1N1CCOC(C)C1
InChIInChI=1S/C13H18N2O3/c1-9-8-15(6-7-18-9)12-10(13(16)17-2)4-3-5-11(12)14/h3-5,9H,6-8,14H2,1-2H3
InChIKeyYQJPTIAOMILXSR-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate 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

methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
CID 115934170
methyl 3-amino-2-(3-propylpyrrolidin-1-yl)benzoate
CID 113418468
methyl 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)benzoate
CID 115935418
tert-butyl 4-(2-amino-6-methoxycarbonylphenyl)-2-methylpiperazine-1-carboxylate
CID 171118446
methyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 112577545
methyl 3-amino-4-(2-methyl-1,4-oxazepan-4-yl)benzoate
CID 62967652
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
CID 113332612
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
methyl 2-[4-[(2R)-2-methylmorpholin-4-yl]-3-nitrobenzoyl]benzoate
CID 36597374

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate (CID 112577662) is methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate is COC(=O)c1cccc(N)c1N1CCOC(C)C1.
What is the InChIKey of methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate?
The InChIKey is YQJPTIAOMILXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-15(6-7-18-9)12-10(13(16)17-2)4-3-5-11(12)14/h3-5,9H,6-8,14H2,1-2H3.
What are the key properties of methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate?
methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate has a molecular weight of 250.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate is sourced from PubChem (CID 112577662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).