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

C14H18N2O5 — CID 115533203

IUPACmethyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(N)cc2OC)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-11-7-9(15)3-4-10(11)13(17)16-5-6-21-12(8-16)14(18)20-2/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyBLKFBYDYSZSDIU-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.29
Rot. Bonds3

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

methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate (PubChem CID 115533203) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
PubChem CID115533203
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(N)cc2OC)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-11-7-9(15)3-4-10(11)13(17)16-5-6-21-12(8-16)14(18)20-2/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyBLKFBYDYSZSDIU-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'}

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Related Compounds

methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-(2-amino-5-bromobenzoyl)morpholine-2-carboxylate
CID 115534989
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
methyl 4-(2-hydroxy-3,5-diiodobenzoyl)morpholine-2-carboxylate
CID 115535816
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate (CID 115533203) is methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(N)cc2OC)CCO1.
What is the InChIKey of methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate?
The InChIKey is BLKFBYDYSZSDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-11-7-9(15)3-4-10(11)13(17)16-5-6-21-12(8-16)14(18)20-2/h3-4,7,12H,5-6,8,15H2,1-2H3.
What are the key properties of methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate?
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-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-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 115533203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).