(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid

C13H16BrNO3 — CID 125130202

IUPAC(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyUIPAMXKLDYQYBI-CABZTGNLSA-N
MW314.18 g/mol
LogP2.30
Rot. Bonds3

About (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid

(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid (PubChem CID 125130202) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
PubChem CID125130202
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyUIPAMXKLDYQYBI-CABZTGNLSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic 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)-4-propan-2-ylmorpholine
CID 82184636
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124569493
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 51130064
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid (CID 125130202) is (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid is C[C@@H](C(=O)O)N1CCO[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid?
The InChIKey is UIPAMXKLDYQYBI-CABZTGNLSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid?
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid has a molecular weight of 314.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 125130202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).