2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid

C14H18BrNO4 — CID 66433098

IUPAC2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(Br)c(CN2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H18BrNO4/c1-19-11-2-3-13(15)10(6-11)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyYULHMYFVPBJBEV-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid

2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66433098) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
PubChem CID66433098
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(Br)c(CN2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H18BrNO4/c1-19-11-2-3-13(15)10(6-11)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyYULHMYFVPBJBEV-UHFFFAOYSA-N
XLogP2.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65323136
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-[(2-bromo-4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435837
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
2-[4-[(3-bromothiophen-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66435818
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid (CID 66433098) is 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid is COc1ccc(Br)c(CN2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is YULHMYFVPBJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-19-11-2-3-13(15)10(6-11)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 344.21 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).