3-(diazinan-1-yl)-2,2-dimethylpropanoic acid

C9H18N2O2 — CID 130874748

IUPAC3-(diazinan-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCCCN1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-9(2,8(12)13)7-11-6-4-3-5-10-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyJNEYWZMGURRYSB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.70
Rot. Bonds3

About 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid

3-(diazinan-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 130874748) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(diazinan-1-yl)-2,2-dimethylpropanoic acid
PubChem CID130874748
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(diazinan-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCCCN1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-9(2,8(12)13)7-11-6-4-3-5-10-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyJNEYWZMGURRYSB-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid (CID 130874748) is 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCCCN1)C(=O)O.
What is the InChIKey of 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is JNEYWZMGURRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,8(12)13)7-11-6-4-3-5-10-11/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid?
3-(diazinan-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diazinan-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 130874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).