actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide

C14H26AcNO3- — CID 59063038

IUPACactinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1C.[Ac]
InChIInChI=1S/C14H26NO3.Ac/c1-5-9(6-2)12(15)11-8(3)7-10(13(11)16)14(17)18-4;/h8-13,15-16H,5-7H2,1-4H3;/q-1;/t8-,10+,11-,12?,13-;/m1./s1
InChIKeyJYZXKYRQNBOYEP-UZIJPWHASA-N
MW483.37 g/mol
LogP2.65
Rot. Bonds5

About actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide

actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide (PubChem CID 59063038) has the molecular formula C14H26AcNO3- and a molecular weight of 483.37 g/mol. Its IUPAC name is actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide.

Molecular Properties

Compound Nameactinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide
PubChem CID59063038
Molecular FormulaC14H26AcNO3-
Molecular Weight483.37 g/mol
Exact Mass483.22
IUPAC Nameactinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1C.[Ac]
InChIInChI=1S/C14H26NO3.Ac/c1-5-9(6-2)12(15)11-8(3)7-10(13(11)16)14(17)18-4;/h8-13,15-16H,5-7H2,1-4H3;/q-1;/t8-,10+,11-,12?,13-;/m1./s1
InChIKeyJYZXKYRQNBOYEP-UZIJPWHASA-N
XLogP2.65
TPSA70.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide?
The IUPAC name of actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide (CID 59063038) is actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide.
What is the SMILES notation for actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide?
The canonical SMILES for actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide is CCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1C.[Ac].
What is the InChIKey of actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide?
The InChIKey is JYZXKYRQNBOYEP-UZIJPWHASA-N. The full InChI is InChI=1S/C14H26NO3.Ac/c1-5-9(6-2)12(15)11-8(3)7-10(13(11)16)14(17)18-4;/h8-13,15-16H,5-7H2,1-4H3;/q-1;/t8-,10+,11-,12?,13-;/m1./s1.
What are the key properties of actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide?
actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide has a molecular weight of 483.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide is sourced from PubChem (CID 59063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).