2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C15H20F2N2O5S — CID 129323451

IUPAC2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C15H20F2N2O5S/c1-25(22,23)19(10-14(20)21)9-12-8-18(5-6-24-12)7-11-3-2-4-13(16)15(11)17/h2-4,12H,5-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyALZNLCQJTVAKQT-GFCCVEGCSA-N
MW378.40 g/mol
LogP0.51
Rot. Bonds7

About 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129323451) has the molecular formula C15H20F2N2O5S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129323451
Molecular FormulaC15H20F2N2O5S
Molecular Weight378.40 g/mol
Exact Mass378.11
IUPAC Name2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C15H20F2N2O5S/c1-25(22,23)19(10-14(20)21)9-12-8-18(5-6-24-12)7-11-3-2-4-13(16)15(11)17/h2-4,12H,5-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyALZNLCQJTVAKQT-GFCCVEGCSA-N
XLogP0.51
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129008175
2-[[4-[(4-tert-butylphenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129006567
2-fluoro-3-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 107119326
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129324664
2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129468965
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129323451) is 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(Cc2cccc(F)c2F)CCO1.
What is the InChIKey of 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is ALZNLCQJTVAKQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20F2N2O5S/c1-25(22,23)19(10-14(20)21)9-12-8-18(5-6-24-12)7-11-3-2-4-13(16)15(11)17/h2-4,12H,5-10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 378.40 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129323451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).