actinium;(1-carboxy-3-methylbutyl)azanide

C6H12AcNO2- — CID 20652030

IUPACactinium;(1-carboxy-3-methylbutyl)azanide
SMILESCC(C)CC([NH-])C(=O)O.[Ac]
InChIInChI=1S/C6H12NO2.Ac/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q-1;
InChIKeyXABMBPDUUCKDOI-UHFFFAOYSA-N
MW357.17 g/mol
LogP1.54
Rot. Bonds3

About actinium;(1-carboxy-3-methylbutyl)azanide

actinium;(1-carboxy-3-methylbutyl)azanide (PubChem CID 20652030) has the molecular formula C6H12AcNO2- and a molecular weight of 357.17 g/mol. Its IUPAC name is actinium;(1-carboxy-3-methylbutyl)azanide.

Molecular Properties

Compound Nameactinium;(1-carboxy-3-methylbutyl)azanide
PubChem CID20652030
Molecular FormulaC6H12AcNO2-
Molecular Weight357.17 g/mol
Exact Mass357.12
IUPAC Nameactinium;(1-carboxy-3-methylbutyl)azanide
SMILESCC(C)CC([NH-])C(=O)O.[Ac]
InChIInChI=1S/C6H12NO2.Ac/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q-1;
InChIKeyXABMBPDUUCKDOI-UHFFFAOYSA-N
XLogP1.54
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(fluoromethyl)-4-methylpentanoic acid
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(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(1-carboxy-2-hydroxyethyl)azanide;platinum
CID 59970240
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
(2S)-2-methoxy-4-methylpentanoic acid
CID 89093087

Frequently Asked Questions

What is the IUPAC name of actinium;(1-carboxy-3-methylbutyl)azanide?
The IUPAC name of actinium;(1-carboxy-3-methylbutyl)azanide (CID 20652030) is actinium;(1-carboxy-3-methylbutyl)azanide.
What is the SMILES notation for actinium;(1-carboxy-3-methylbutyl)azanide?
The canonical SMILES for actinium;(1-carboxy-3-methylbutyl)azanide is CC(C)CC([NH-])C(=O)O.[Ac].
What is the InChIKey of actinium;(1-carboxy-3-methylbutyl)azanide?
The InChIKey is XABMBPDUUCKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2.Ac/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q-1;.
What are the key properties of actinium;(1-carboxy-3-methylbutyl)azanide?
actinium;(1-carboxy-3-methylbutyl)azanide has a molecular weight of 357.17 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(1-carboxy-3-methylbutyl)azanide is sourced from PubChem (CID 20652030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).