(2R)-2-amino-2,3,3-trimethylbutanal

C7H15NO — CID 57152253

IUPAC(2R)-2-amino-2,3,3-trimethylbutanal
SMILESCC(C)(C)[C@@](C)(N)C=O
InChIInChI=1S/C7H15NO/c1-6(2,3)7(4,8)5-9/h5H,8H2,1-4H3/t7-/m0/s1
InChIKeyWKZRECGNYKHMQA-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds1

About (2R)-2-amino-2,3,3-trimethylbutanal

(2R)-2-amino-2,3,3-trimethylbutanal (PubChem CID 57152253) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R)-2-amino-2,3,3-trimethylbutanal.

Molecular Properties

Compound Name(2R)-2-amino-2,3,3-trimethylbutanal
PubChem CID57152253
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R)-2-amino-2,3,3-trimethylbutanal
SMILESCC(C)(C)[C@@](C)(N)C=O
InChIInChI=1S/C7H15NO/c1-6(2,3)7(4,8)5-9/h5H,8H2,1-4H3/t7-/m0/s1
InChIKeyWKZRECGNYKHMQA-ZETCQYMHSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2,3,3-trimethylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2,3,3-trimethylbutanal?
The IUPAC name of (2R)-2-amino-2,3,3-trimethylbutanal (CID 57152253) is (2R)-2-amino-2,3,3-trimethylbutanal.
What is the SMILES notation for (2R)-2-amino-2,3,3-trimethylbutanal?
The canonical SMILES for (2R)-2-amino-2,3,3-trimethylbutanal is CC(C)(C)[C@@](C)(N)C=O.
What is the InChIKey of (2R)-2-amino-2,3,3-trimethylbutanal?
The InChIKey is WKZRECGNYKHMQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2,3)7(4,8)5-9/h5H,8H2,1-4H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2,3,3-trimethylbutanal?
(2R)-2-amino-2,3,3-trimethylbutanal has a molecular weight of 129.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2,3,3-trimethylbutanal is sourced from PubChem (CID 57152253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).