5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid

C14H16BrNO5 — CID 43084682

IUPAC5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(Br)cc1C(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrNO5/c1-9(13(17)16-4-6-20-7-5-16)21-12-3-2-10(15)8-11(12)14(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyFCVHPXGYVRKNOY-UHFFFAOYSA-N
MW358.19 g/mol
LogP1.77
Rot. Bonds4

About 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid

5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid (PubChem CID 43084682) has the molecular formula C14H16BrNO5 and a molecular weight of 358.19 g/mol. Its IUPAC name is 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
PubChem CID43084682
Molecular FormulaC14H16BrNO5
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(Br)cc1C(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrNO5/c1-9(13(17)16-4-6-20-7-5-16)21-12-3-2-10(15)8-11(12)14(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyFCVHPXGYVRKNOY-UHFFFAOYSA-N
XLogP1.77
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 43083111
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-1-morpholin-4-ylpropan-1-one
CID 43505242
(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100816524
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-(2-acetyl-5-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 63067650
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid?
The IUPAC name of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid (CID 43084682) is 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid.
What is the SMILES notation for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid?
The canonical SMILES for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid is CC(Oc1ccc(Br)cc1C(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid?
The InChIKey is FCVHPXGYVRKNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO5/c1-9(13(17)16-4-6-20-7-5-16)21-12-3-2-10(15)8-11(12)14(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid?
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid has a molecular weight of 358.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid is sourced from PubChem (CID 43084682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).