methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate

C14H20N2O4 — CID 163959263

IUPACmethyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
SMILESCOC(=O)c1cc(O)cc(NCCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11-8-12(10-13(17)9-11)15-2-3-16-4-6-20-7-5-16/h8-10,15,17H,2-7H2,1H3
InChIKeySGBRHPZGIJRVMA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds5

About methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate

methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate (PubChem CID 163959263) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
PubChem CID163959263
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
SMILESCOC(=O)c1cc(O)cc(NCCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11-8-12(10-13(17)9-11)15-2-3-16-4-6-20-7-5-16/h8-10,15,17H,2-7H2,1H3
InChIKeySGBRHPZGIJRVMA-UHFFFAOYSA-N
XLogP0.92
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)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-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
methyl 10-chloro-1-methyl-8-(2-morpholin-4-ylethylamino)-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate
CID 131728454
methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
CID 90211616
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
5-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223173
methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate
CID 24903170
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109344521
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108517524
dimethyl 5-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate;dihydrochloride
CID 17333473

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate?
The IUPAC name of methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate (CID 163959263) is methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate is COC(=O)c1cc(O)cc(NCCN2CCOCC2)c1.
What is the InChIKey of methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate?
The InChIKey is SGBRHPZGIJRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-14(18)11-8-12(10-13(17)9-11)15-2-3-16-4-6-20-7-5-16/h8-10,15,17H,2-7H2,1H3.
What are the key properties of methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate?
methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate has a molecular weight of 280.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate is sourced from PubChem (CID 163959263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).