(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid

C12H14BrNO3 — CID 93297485

IUPAC(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyWNRRYWUZPNTUTQ-LLVKDONJSA-N
MW300.15 g/mol
LogP1.91
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid (PubChem CID 93297485) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
PubChem CID93297485
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyWNRRYWUZPNTUTQ-LLVKDONJSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
CID 72863317
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid (CID 93297485) is (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid is O=C(O)[C@@H](c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is WNRRYWUZPNTUTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid?
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 300.15 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 93297485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).