methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate

C14H18N2O5 — CID 115533204

IUPACmethyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(OC)c(N)c2)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-11-4-3-9(7-10(11)15)13(17)16-5-6-21-12(8-16)14(18)20-2/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyKDIRFVHXYKHWAC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.29
Rot. Bonds3

About methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate

methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate (PubChem CID 115533204) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
PubChem CID115533204
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(OC)c(N)c2)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-11-4-3-9(7-10(11)15)13(17)16-5-6-21-12(8-16)14(18)20-2/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyKDIRFVHXYKHWAC-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

(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2-amino-5-bromobenzoyl)morpholine-2-carboxylate
CID 115534989
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate (CID 115533204) is methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(OC)c(N)c2)CCO1.
What is the InChIKey of methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate?
The InChIKey is KDIRFVHXYKHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-11-4-3-9(7-10(11)15)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-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate?
methyl 4-(3-amino-4-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-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 115533204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).