methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate

C15H19NO5 — CID 115535924

IUPACmethyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(CO)cc2)CCO1
InChIInChI=1S/C15H19NO5/c1-20-14(18)8-13-9-16(6-7-21-13)15(19)12-4-2-11(10-17)3-5-12/h2-5,13,17H,6-10H2,1H3
InChIKeyOVDRRTXKFFFKBW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.58
Rot. Bonds4

About methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate

methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate (PubChem CID 115535924) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
PubChem CID115535924
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(CO)cc2)CCO1
InChIInChI=1S/C15H19NO5/c1-20-14(18)8-13-9-16(6-7-21-13)15(19)12-4-2-11(10-17)3-5-12/h2-5,13,17H,6-10H2,1H3
InChIKeyOVDRRTXKFFFKBW-UHFFFAOYSA-N
XLogP0.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate (CID 115535924) is methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2ccc(CO)cc2)CCO1.
What is the InChIKey of methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate?
The InChIKey is OVDRRTXKFFFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-14(18)8-13-9-16(6-7-21-13)15(19)12-4-2-11(10-17)3-5-12/h2-5,13,17H,6-10H2,1H3.
What are the key properties of methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate?
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate has a molecular weight of 293.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate is sourced from PubChem (CID 115535924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).