methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate

C15H23N3O3 — CID 115544710

IUPACmethyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
SMILESCOC(=O)c1cccc(NCCCN2CCOCC2)c1N
InChIInChI=1S/C15H23N3O3/c1-20-15(19)12-4-2-5-13(14(12)16)17-6-3-7-18-8-10-21-11-9-18/h2,4-5,17H,3,6-11,16H2,1H3
InChIKeyFATNDAOSDJTZQR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate

methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate (PubChem CID 115544710) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
PubChem CID115544710
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
SMILESCOC(=O)c1cccc(NCCCN2CCOCC2)c1N
InChIInChI=1S/C15H23N3O3/c1-20-15(19)12-4-2-5-13(14(12)16)17-6-3-7-18-8-10-21-11-9-18/h2,4-5,17H,3,6-11,16H2,1H3
InChIKeyFATNDAOSDJTZQR-UHFFFAOYSA-N
XLogP1.19
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
methyl 2-amino-3-(2-sulfamoylethylamino)benzoate
CID 115544871
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
methyl 2,3-difluorobenzoate;methyl 3-fluoro-2-(2-morpholin-4-ylethylamino)benzoate;2-morpholin-4-ylethanamine
CID 162249282
methyl 2-amino-3-[2-(dimethylcarbamoylamino)ethylamino]benzoate
CID 83115197
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
ethyl 2-amino-3-(3-methylsulfonylpropylamino)benzoate
CID 115545631

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate?
The IUPAC name of methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate (CID 115544710) is methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate.
What is the SMILES notation for methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate?
The canonical SMILES for methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate is COC(=O)c1cccc(NCCCN2CCOCC2)c1N.
What is the InChIKey of methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate?
The InChIKey is FATNDAOSDJTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-15(19)12-4-2-5-13(14(12)16)17-6-3-7-18-8-10-21-11-9-18/h2,4-5,17H,3,6-11,16H2,1H3.
What are the key properties of methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate?
methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate has a molecular weight of 293.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate is sourced from PubChem (CID 115544710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).