5-amino-5-cyano-2,2-dimethylpentanoic acid

C8H14N2O2 — CID 102089748

IUPAC5-amino-5-cyano-2,2-dimethylpentanoic acid
SMILESCC(C)(CCC(N)C#N)C(=O)O
InChIInChI=1S/C8H14N2O2/c1-8(2,7(11)12)4-3-6(10)5-9/h6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyOYMOBCVULLBXOW-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.73
Rot. Bonds4

About 5-amino-5-cyano-2,2-dimethylpentanoic acid

5-amino-5-cyano-2,2-dimethylpentanoic acid (PubChem CID 102089748) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-amino-5-cyano-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-cyano-2,2-dimethylpentanoic acid
PubChem CID102089748
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-amino-5-cyano-2,2-dimethylpentanoic acid
SMILESCC(C)(CCC(N)C#N)C(=O)O
InChIInChI=1S/C8H14N2O2/c1-8(2,7(11)12)4-3-6(10)5-9/h6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyOYMOBCVULLBXOW-UHFFFAOYSA-N
XLogP0.73
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-cyano-2,2-dimethylpentanoic acid?
The IUPAC name of 5-amino-5-cyano-2,2-dimethylpentanoic acid (CID 102089748) is 5-amino-5-cyano-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-amino-5-cyano-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-amino-5-cyano-2,2-dimethylpentanoic acid is CC(C)(CCC(N)C#N)C(=O)O.
What is the InChIKey of 5-amino-5-cyano-2,2-dimethylpentanoic acid?
The InChIKey is OYMOBCVULLBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,7(11)12)4-3-6(10)5-9/h6H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 5-amino-5-cyano-2,2-dimethylpentanoic acid?
5-amino-5-cyano-2,2-dimethylpentanoic acid has a molecular weight of 170.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-cyano-2,2-dimethylpentanoic acid is sourced from PubChem (CID 102089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).