ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium

C10H19NO5SY-2 — CID 58101904

IUPACethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium
SMILES[CH2-]C.[CH2-]C(=O)CS(=O)(=O)NCCC(=O)OCC.[Y]
InChIInChI=1S/C8H14NO5S.C2H5.Y/c1-3-14-8(11)4-5-9-15(12,13)6-7(2)10;1-2;/h9H,2-6H2,1H3;1H2,2H3;/q2*-1;
InChIKeyBOTVDLCKPMNTRR-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.10
Rot. Bonds7

About ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium

ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium (PubChem CID 58101904) has the molecular formula C10H19NO5SY-2 and a molecular weight of 354.24 g/mol. Its IUPAC name is ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium.

Molecular Properties

Compound Nameethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium
PubChem CID58101904
Molecular FormulaC10H19NO5SY-2
Molecular Weight354.24 g/mol
Exact Mass354.01
IUPAC Nameethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium
SMILES[CH2-]C.[CH2-]C(=O)CS(=O)(=O)NCCC(=O)OCC.[Y]
InChIInChI=1S/C8H14NO5S.C2H5.Y/c1-3-14-8(11)4-5-9-15(12,13)6-7(2)10;1-2;/h9H,2-6H2,1H3;1H2,2H3;/q2*-1;
InChIKeyBOTVDLCKPMNTRR-UHFFFAOYSA-N
XLogP0.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium?
The IUPAC name of ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium (CID 58101904) is ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium.
What is the SMILES notation for ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium?
The canonical SMILES for ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium is [CH2-]C.[CH2-]C(=O)CS(=O)(=O)NCCC(=O)OCC.[Y].
What is the InChIKey of ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium?
The InChIKey is BOTVDLCKPMNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO5S.C2H5.Y/c1-3-14-8(11)4-5-9-15(12,13)6-7(2)10;1-2;/h9H,2-6H2,1H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium?
ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium has a molecular weight of 354.24 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(2-oxopropylsulfonylamino)propanoate;yttrium is sourced from PubChem (CID 58101904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).