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

C13H16N2O5 — CID 107075785

IUPACmethyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(N)c(O)c2)CCO1
InChIInChI=1S/C13H16N2O5/c1-19-13(18)11-7-15(4-5-20-11)12(17)8-2-3-9(14)10(16)6-8/h2-3,6,11,16H,4-5,7,14H2,1H3
InChIKeyVUEYIMZRHXBRLZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.01
Rot. Bonds2

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

methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate (PubChem CID 107075785) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
PubChem CID107075785
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(N)c(O)c2)CCO1
InChIInChI=1S/C13H16N2O5/c1-19-13(18)11-7-15(4-5-20-11)12(17)8-2-3-9(14)10(16)6-8/h2-3,6,11,16H,4-5,7,14H2,1H3
InChIKeyVUEYIMZRHXBRLZ-UHFFFAOYSA-N
XLogP-0.01
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-(2-amino-5-bromobenzoyl)morpholine-2-carboxylate
CID 115534989
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 1-(4-amino-3-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 107075695
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate (CID 107075785) is methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(N)c(O)c2)CCO1.
What is the InChIKey of methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate?
The InChIKey is VUEYIMZRHXBRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-13(18)11-7-15(4-5-20-11)12(17)8-2-3-9(14)10(16)6-8/h2-3,6,11,16H,4-5,7,14H2,1H3.
What are the key properties of methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate?
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 107075785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).