(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate

C14H20N2O4 — CID 79182993

IUPAC(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC1CN(C)CCO1
InChIInChI=1S/C14H20N2O4/c1-16-5-6-19-11(8-16)9-20-14(17)12-7-10(15)3-4-13(12)18-2/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyGFLBWRHYWOKDTQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.76
Rot. Bonds4

About (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate

(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate (PubChem CID 79182993) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
PubChem CID79182993
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC1CN(C)CCO1
InChIInChI=1S/C14H20N2O4/c1-16-5-6-19-11(8-16)9-20-14(17)12-7-10(15)3-4-13(12)18-2/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyGFLBWRHYWOKDTQ-UHFFFAOYSA-N
XLogP0.76
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.76
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

(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 79182560
(4-methylmorpholin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 167944826
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592454
ethyl 5-amino-2-methoxybenzoate
CID 22180184
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate (CID 79182993) is (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCC1CN(C)CCO1.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate?
The InChIKey is GFLBWRHYWOKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16-5-6-19-11(8-16)9-20-14(17)12-7-10(15)3-4-13(12)18-2/h3-4,7,11H,5-6,8-9,15H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate?
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate is sourced from PubChem (CID 79182993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).