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

C14H18BrNO3 — CID 99833548

IUPAC(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO3/c1-2-12(14(17)18)16-7-8-19-13(9-16)10-5-3-4-6-11(10)15/h3-6,12-13H,2,7-9H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeySYBVNCMILMUXES-STQMWFEESA-N
MW328.21 g/mol
LogP2.69
Rot. Bonds4

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

(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid (PubChem CID 99833548) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
PubChem CID99833548
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO3/c1-2-12(14(17)18)16-7-8-19-13(9-16)10-5-3-4-6-11(10)15/h3-6,12-13H,2,7-9H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeySYBVNCMILMUXES-STQMWFEESA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid?
The IUPAC name of (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid (CID 99833548) is (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid is CC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Br)C1.
What is the InChIKey of (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid?
The InChIKey is SYBVNCMILMUXES-STQMWFEESA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-2-12(14(17)18)16-7-8-19-13(9-16)10-5-3-4-6-11(10)15/h3-6,12-13H,2,7-9H2,1H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid?
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid has a molecular weight of 328.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 99833548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).