2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid

C15H19NO5 — CID 104775095

IUPAC2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
SMILESCOC(=O)C1COCCN1Cc1ccccc1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-20-15(19)13-10-21-7-6-16(13)9-12-5-3-2-4-11(12)8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyBFZAYVWQMKFIQM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.69
Rot. Bonds5

About 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid

2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid (PubChem CID 104775095) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
PubChem CID104775095
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
SMILESCOC(=O)C1COCCN1Cc1ccccc1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-20-15(19)13-10-21-7-6-16(13)9-12-5-3-2-4-11(12)8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyBFZAYVWQMKFIQM-UHFFFAOYSA-N
XLogP0.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid (CID 104775095) is 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid is COC(=O)C1COCCN1Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid?
The InChIKey is BFZAYVWQMKFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-15(19)13-10-21-7-6-16(13)9-12-5-3-2-4-11(12)8-14(17)18/h2-5,13H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid?
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 104775095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).