2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

C16H28N2O7S — CID 129323721

IUPAC2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESC[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)O1
InChIInChI=1S/C16H28N2O7S/c1-12-3-4-13(25-12)5-6-15(19)17-7-8-24-14(9-17)10-18(11-16(20)21)26(2,22)23/h12-14H,3-11H2,1-2H3,(H,20,21)/t12-,13-,14+/m1/s1
InChIKeyDMGSSVGIFJPQEM-MCIONIFRSA-N
MW392.47 g/mol
LogP-0.09
Rot. Bonds8

About 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid

2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (PubChem CID 129323721) has the molecular formula C16H28N2O7S and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
PubChem CID129323721
Molecular FormulaC16H28N2O7S
Molecular Weight392.47 g/mol
Exact Mass392.16
IUPAC Name2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
SMILESC[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)O1
InChIInChI=1S/C16H28N2O7S/c1-12-3-4-13(25-12)5-6-15(19)17-7-8-24-14(9-17)10-18(11-16(20)21)26(2,22)23/h12-14H,3-11H2,1-2H3,(H,20,21)/t12-,13-,14+/m1/s1
InChIKeyDMGSSVGIFJPQEM-MCIONIFRSA-N
XLogP-0.09
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid with MolForge

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Related Compounds

2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
2-[methylsulfonyl-[[(2S)-4-[(3R)-oxolane-3-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129468924
2-[[(2S)-4-[2-(6-methyl-3-pyridinyl)acetyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129324664
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113149668
2-[methylsulfonyl-[[(2R)-4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129468401
2-[[(2S)-4-(1,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129468965
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129478782
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid (CID 129323721) is 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)O1.
What is the InChIKey of 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
The InChIKey is DMGSSVGIFJPQEM-MCIONIFRSA-N. The full InChI is InChI=1S/C16H28N2O7S/c1-12-3-4-13(25-12)5-6-15(19)17-7-8-24-14(9-17)10-18(11-16(20)21)26(2,22)23/h12-14H,3-11H2,1-2H3,(H,20,21)/t12-,13-,14+/m1/s1.
What are the key properties of 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid?
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid has a molecular weight of 392.47 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid is sourced from PubChem (CID 129323721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).