4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid

C14H18BrNO3 — CID 84608477

IUPAC4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H18BrNO3/c15-12-4-1-11(2-5-12)3-6-13(14(17)18)16-7-9-19-10-8-16/h1-2,4-5,13H,3,6-10H2,(H,17,18)
InChIKeyJHIZMWKGBAPHLL-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.17
Rot. Bonds5

About 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid

4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid (PubChem CID 84608477) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
PubChem CID84608477
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H18BrNO3/c15-12-4-1-11(2-5-12)3-6-13(14(17)18)16-7-9-19-10-8-16/h1-2,4-5,13H,3,6-10H2,(H,17,18)
InChIKeyJHIZMWKGBAPHLL-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
4-(4-bromophenyl)-2-fluorobutanoic acid
CID 84729590
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
CID 82088132
2-morpholin-4-yldecanoic acid
CID 57259608
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
CID 55758909
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
2-(3-methylazetidin-1-yl)-4-phenylbutanoic acid
CID 114920814
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid?
The IUPAC name of 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid (CID 84608477) is 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid is O=C(O)C(CCc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid?
The InChIKey is JHIZMWKGBAPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-4-1-11(2-5-12)3-6-13(14(17)18)16-7-9-19-10-8-16/h1-2,4-5,13H,3,6-10H2,(H,17,18).
What are the key properties of 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid?
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid has a molecular weight of 328.21 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 84608477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).