actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide

C10H16AcNO4S- — CID 21340861

IUPACactinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide
SMILESCC(=O)C([NH-])CSCC(CC(=O)O)C(C)=O.[Ac]
InChIInChI=1S/C10H16NO4S.Ac/c1-6(12)8(3-10(14)15)4-16-5-9(11)7(2)13;/h8-9,11H,3-5H2,1-2H3,(H,14,15);/q-1;
InChIKeyYCIGRPRHFDEHFZ-UHFFFAOYSA-N
MW473.31 g/mol
LogP1.41
Rot. Bonds8

About actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide

actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide (PubChem CID 21340861) has the molecular formula C10H16AcNO4S- and a molecular weight of 473.31 g/mol. Its IUPAC name is actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide.

Molecular Properties

Compound Nameactinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide
PubChem CID21340861
Molecular FormulaC10H16AcNO4S-
Molecular Weight473.31 g/mol
Exact Mass473.11
IUPAC Nameactinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide
SMILESCC(=O)C([NH-])CSCC(CC(=O)O)C(C)=O.[Ac]
InChIInChI=1S/C10H16NO4S.Ac/c1-6(12)8(3-10(14)15)4-16-5-9(11)7(2)13;/h8-9,11H,3-5H2,1-2H3,(H,14,15);/q-1;
InChIKeyYCIGRPRHFDEHFZ-UHFFFAOYSA-N
XLogP1.41
TPSA95.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide?
The IUPAC name of actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide (CID 21340861) is actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide.
What is the SMILES notation for actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide?
The canonical SMILES for actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide is CC(=O)C([NH-])CSCC(CC(=O)O)C(C)=O.[Ac].
What is the InChIKey of actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide?
The InChIKey is YCIGRPRHFDEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO4S.Ac/c1-6(12)8(3-10(14)15)4-16-5-9(11)7(2)13;/h8-9,11H,3-5H2,1-2H3,(H,14,15);/q-1;.
What are the key properties of actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide?
actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide has a molecular weight of 473.31 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[2-(carboxymethyl)-3-oxobutyl]sulfanyl-3-oxobutan-2-yl]azanide is sourced from PubChem (CID 21340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).