3-[bis(2-methylpropyl)azaniumyl]propanoate

C11H23NO2 — CID 2057164

IUPAC3-[bis(2-methylpropyl)azaniumyl]propanoate
SMILESCC(C)C[NH+](CCC(=O)[O-])CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZOIRSAWTCMFEB-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.68
Rot. Bonds7

About 3-[bis(2-methylpropyl)azaniumyl]propanoate

3-[bis(2-methylpropyl)azaniumyl]propanoate (PubChem CID 2057164) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)azaniumyl]propanoate.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)azaniumyl]propanoate
PubChem CID2057164
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[bis(2-methylpropyl)azaniumyl]propanoate
SMILESCC(C)C[NH+](CCC(=O)[O-])CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZOIRSAWTCMFEB-UHFFFAOYSA-N
XLogP-0.68
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)azaniumyl]propanoate?
The IUPAC name of 3-[bis(2-methylpropyl)azaniumyl]propanoate (CID 2057164) is 3-[bis(2-methylpropyl)azaniumyl]propanoate.
What is the SMILES notation for 3-[bis(2-methylpropyl)azaniumyl]propanoate?
The canonical SMILES for 3-[bis(2-methylpropyl)azaniumyl]propanoate is CC(C)C[NH+](CCC(=O)[O-])CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)azaniumyl]propanoate?
The InChIKey is PZOIRSAWTCMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[bis(2-methylpropyl)azaniumyl]propanoate?
3-[bis(2-methylpropyl)azaniumyl]propanoate has a molecular weight of 201.31 g/mol, XLogP of -0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)azaniumyl]propanoate is sourced from PubChem (CID 2057164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).