4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid

C17H16BrNO5 — CID 119238762

IUPAC4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C17H16BrNO5/c18-13-3-1-12-8-14(4-2-11(12)7-13)24-10-16(20)19-5-6-23-15(9-19)17(21)22/h1-4,7-8,15H,5-6,9-10H2,(H,21,22)
InChIKeyOZANGPPOYNXDIT-UHFFFAOYSA-N
MW394.22 g/mol
LogP2.29
Rot. Bonds4

About 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid

4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid (PubChem CID 119238762) has the molecular formula C17H16BrNO5 and a molecular weight of 394.22 g/mol. Its IUPAC name is 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
PubChem CID119238762
Molecular FormulaC17H16BrNO5
Molecular Weight394.22 g/mol
Exact Mass393.02
IUPAC Name4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C17H16BrNO5/c18-13-3-1-12-8-14(4-2-11(12)7-13)24-10-16(20)19-5-6-23-15(9-19)17(21)22/h1-4,7-8,15H,5-6,9-10H2,(H,21,22)
InChIKeyOZANGPPOYNXDIT-UHFFFAOYSA-N
XLogP2.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129367315
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119411617
4-[2-(3-nitrophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119238888
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 51142094
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256117
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119519137
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258071

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid (CID 119238762) is 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1.
What is the InChIKey of 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid?
The InChIKey is OZANGPPOYNXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO5/c18-13-3-1-12-8-14(4-2-11(12)7-13)24-10-16(20)19-5-6-23-15(9-19)17(21)22/h1-4,7-8,15H,5-6,9-10H2,(H,21,22).
What are the key properties of 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid?
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid has a molecular weight of 394.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).