2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid

C12H20N2O6S — CID 66173764

IUPAC2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)CSCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H20N2O6S/c1-12(19,11(17)18)8-13-9(15)6-21-7-10(16)14-2-4-20-5-3-14/h19H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyZPASPEJYNXLHQN-UHFFFAOYSA-N
MW320.37 g/mol
LogP-1.47
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid (PubChem CID 66173764) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
PubChem CID66173764
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)CSCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H20N2O6S/c1-12(19,11(17)18)8-13-9(15)6-21-7-10(16)14-2-4-20-5-3-14/h19H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyZPASPEJYNXLHQN-UHFFFAOYSA-N
XLogP-1.47
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid with MolForge

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Related Compounds

2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509
2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
CID 83020408
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid (CID 66173764) is 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid is CC(O)(CNC(=O)CSCC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The InChIKey is ZPASPEJYNXLHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-12(19,11(17)18)8-13-9(15)6-21-7-10(16)14-2-4-20-5-3-14/h19H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid has a molecular weight of 320.37 g/mol, XLogP of -1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid is sourced from PubChem (CID 66173764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).