2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid

C13H22N2O7S — CID 129468924

IUPAC2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1
InChIInChI=1S/C13H22N2O7S/c1-23(19,20)15(8-12(16)17)7-11-6-14(3-5-22-11)13(18)10-2-4-21-9-10/h10-11H,2-9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyXJSZOMSFAHUPCS-MNOVXSKESA-N
MW350.39 g/mol
LogP-1.40
Rot. Bonds6

About 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 129468924) has the molecular formula C13H22N2O7S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID129468924
Molecular FormulaC13H22N2O7S
Molecular Weight350.39 g/mol
Exact Mass350.11
IUPAC Name2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1
InChIInChI=1S/C13H22N2O7S/c1-23(19,20)15(8-12(16)17)7-11-6-14(3-5-22-11)13(18)10-2-4-21-9-10/h10-11H,2-9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyXJSZOMSFAHUPCS-MNOVXSKESA-N
XLogP-1.40
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323721
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
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-[methylsulfonyl-[[(2R)-4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129468401
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
2-[[4-[(4-tert-butylphenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid;hydrochloride
CID 129006567
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113149668
2-[[(2R)-4-[(2,3-difluorophenyl)methyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323451

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid (CID 129468924) is 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid is CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1.
What is the InChIKey of 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is XJSZOMSFAHUPCS-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22N2O7S/c1-23(19,20)15(8-12(16)17)7-11-6-14(3-5-22-11)13(18)10-2-4-21-9-10/h10-11H,2-9H2,1H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 350.39 g/mol, XLogP of -1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 129468924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).