2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid

C12H14BrNO3 — CID 124704474

IUPAC2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
SMILESO=C(O)CN1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)11-7-14(4-5-17-11)8-12(15)16/h1-3,6,11H,4-5,7-8H2,(H,15,16)/t11-/m1/s1
InChIKeyCEKOKAPQEIZVPO-LLVKDONJSA-N
MW300.15 g/mol
LogP1.91
Rot. Bonds3

About 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid

2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid (PubChem CID 124704474) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
PubChem CID124704474
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
SMILESO=C(O)CN1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)11-7-14(4-5-17-11)8-12(15)16/h1-3,6,11H,4-5,7-8H2,(H,15,16)/t11-/m1/s1
InChIKeyCEKOKAPQEIZVPO-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

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Related Compounds

2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 47090002
2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60609355
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid (CID 124704474) is 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid is O=C(O)CN1CCO[C@@H](c2cccc(Br)c2)C1.
What is the InChIKey of 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid?
The InChIKey is CEKOKAPQEIZVPO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)11-7-14(4-5-17-11)8-12(15)16/h1-3,6,11H,4-5,7-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid?
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic 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 2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid is sourced from PubChem (CID 124704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).