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

C13H16BrNO3 — CID 124692219

IUPAC(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12+/m0/s1
InChIKeyHBWAUTZMHGHSNH-JOYOIKCWSA-N
MW314.18 g/mol
LogP2.30
Rot. Bonds3

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

(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid (PubChem CID 124692219) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
PubChem CID124692219
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12+/m0/s1
InChIKeyHBWAUTZMHGHSNH-JOYOIKCWSA-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

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Related Compounds

(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid (CID 124692219) is (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid is C[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1.
What is the InChIKey of (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid?
The InChIKey is HBWAUTZMHGHSNH-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid?
(2S)-2-[(2S)-2-(2-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-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124692219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).