methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate

C14H17NO5 — CID 124603692

IUPACmethyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H17NO5/c1-9-3-4-10(7-12(9)16)13(17)15-5-6-20-8-11(15)14(18)19-2/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyZVOOEMUHMYUWGM-LLVKDONJSA-N
MW279.29 g/mol
LogP0.71
Rot. Bonds2

About methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate

methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate (PubChem CID 124603692) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
PubChem CID124603692
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H17NO5/c1-9-3-4-10(7-12(9)16)13(17)15-5-6-20-8-11(15)14(18)19-2/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyZVOOEMUHMYUWGM-LLVKDONJSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(3-amino-5-bromobenzoyl)morpholine-3-carboxylate
CID 104774362
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate?
The IUPAC name of methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate (CID 124603692) is methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate is COC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1.
What is the InChIKey of methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate?
The InChIKey is ZVOOEMUHMYUWGM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-3-4-10(7-12(9)16)13(17)15-5-6-20-8-11(15)14(18)19-2/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate?
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate is sourced from PubChem (CID 124603692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).