azane;2,2-diethylbutanoic acid

C8H19NO2 — CID 173369262

IUPACazane;2,2-diethylbutanoic acid
SMILESCCC(CC)(CC)C(=O)O.N
InChIInChI=1S/C8H16O2.H3N/c1-4-8(5-2,6-3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H3
InChIKeyXEMXAGJRXIFZOQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.45
Rot. Bonds4

About azane;2,2-diethylbutanoic acid

azane;2,2-diethylbutanoic acid (PubChem CID 173369262) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is azane;2,2-diethylbutanoic acid.

Molecular Properties

Compound Nameazane;2,2-diethylbutanoic acid
PubChem CID173369262
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameazane;2,2-diethylbutanoic acid
SMILESCCC(CC)(CC)C(=O)O.N
InChIInChI=1S/C8H16O2.H3N/c1-4-8(5-2,6-3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H3
InChIKeyXEMXAGJRXIFZOQ-UHFFFAOYSA-N
XLogP2.45
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2,2-diethylbutanoic acid
CID 162011618
acetonitrile;azane;2,2-diethylbutanoic acid
CID 175092493
2,2-diethylbutanoic acid;tetrapropylazanium
CID 160796850
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
CID 87969329
CID 87969329
2,2-diethylhexanoic acid;indigane
CID 175172164
2,2-diethyl-5-hydroxypentanoic acid
CID 79425038
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
6-bromo-2,2-diethylhexanoic acid
CID 141203057

Frequently Asked Questions

What is the IUPAC name of azane;2,2-diethylbutanoic acid?
The IUPAC name of azane;2,2-diethylbutanoic acid (CID 173369262) is azane;2,2-diethylbutanoic acid.
What is the SMILES notation for azane;2,2-diethylbutanoic acid?
The canonical SMILES for azane;2,2-diethylbutanoic acid is CCC(CC)(CC)C(=O)O.N.
What is the InChIKey of azane;2,2-diethylbutanoic acid?
The InChIKey is XEMXAGJRXIFZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.H3N/c1-4-8(5-2,6-3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H3.
What are the key properties of azane;2,2-diethylbutanoic acid?
azane;2,2-diethylbutanoic acid has a molecular weight of 161.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-diethylbutanoic acid is sourced from PubChem (CID 173369262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).