actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide

C13H23AcN2O2- — CID 59063086

IUPACactinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1N.[Ac]
InChIInChI=1S/C13H23N2O2.Ac/c1-4-8(5-2)12(15)10-6-9(7-11(10)14)13(16)17-3;/h6,8,10-12,15H,4-5,7,14H2,1-3H3;/q-1;/t10-,11-,12?;/m1./s1
InChIKeyQVQCDPVPBWPRCB-XNXIJHLMSA-N
MW466.34 g/mol
LogP2.29
Rot. Bonds5

About actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide

actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide (PubChem CID 59063086) has the molecular formula C13H23AcN2O2- and a molecular weight of 466.34 g/mol. Its IUPAC name is actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide
PubChem CID59063086
Molecular FormulaC13H23AcN2O2-
Molecular Weight466.34 g/mol
Exact Mass466.20
IUPAC Nameactinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1N.[Ac]
InChIInChI=1S/C13H23N2O2.Ac/c1-4-8(5-2)12(15)10-6-9(7-11(10)14)13(16)17-3;/h6,8,10-12,15H,4-5,7,14H2,1-3H3;/q-1;/t10-,11-,12?;/m1./s1
InChIKeyQVQCDPVPBWPRCB-XNXIJHLMSA-N
XLogP2.29
TPSA76.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The IUPAC name of actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide (CID 59063086) is actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The canonical SMILES for actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide is CCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1N.[Ac].
What is the InChIKey of actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The InChIKey is QVQCDPVPBWPRCB-XNXIJHLMSA-N. The full InChI is InChI=1S/C13H23N2O2.Ac/c1-4-8(5-2)12(15)10-6-9(7-11(10)14)13(16)17-3;/h6,8,10-12,15H,4-5,7,14H2,1-3H3;/q-1;/t10-,11-,12?;/m1./s1.
What are the key properties of actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide has a molecular weight of 466.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[(1S,5R)-5-amino-3-methoxycarbonylcyclopent-2-en-1-yl]-2-ethylbutyl]azanide is sourced from PubChem (CID 59063086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).