(2R)-3-amino-2-methylpropanal

C4H9NO — CID 152765459

IUPAC(2R)-3-amino-2-methylpropanal
SMILESCC(C=O)CN
InChIInChI=1S/C4H9NO/c1-4(2-5)3-6/h3-4H,2,5H2,1H3
InChIKeyFIXKNRMXQYFYPD-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.22
Rot. Bonds2

About (2R)-3-amino-2-methylpropanal

(2R)-3-amino-2-methylpropanal (PubChem CID 152765459) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (2R)-3-amino-2-methylpropanal.

Molecular Properties

Compound Name(2R)-3-amino-2-methylpropanal
PubChem CID152765459
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(2R)-3-amino-2-methylpropanal
SMILESCC(C=O)CN
InChIInChI=1S/C4H9NO/c1-4(2-5)3-6/h3-4H,2,5H2,1H3
InChIKeyFIXKNRMXQYFYPD-UHFFFAOYSA-N
XLogP-0.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-3-amino-2-methylpropanal 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)-3-amino-2-methylpropanal?
The IUPAC name of (2R)-3-amino-2-methylpropanal (CID 152765459) is (2R)-3-amino-2-methylpropanal.
What is the SMILES notation for (2R)-3-amino-2-methylpropanal?
The canonical SMILES for (2R)-3-amino-2-methylpropanal is CC(C=O)CN.
What is the InChIKey of (2R)-3-amino-2-methylpropanal?
The InChIKey is FIXKNRMXQYFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(2-5)3-6/h3-4H,2,5H2,1H3.
What are the key properties of (2R)-3-amino-2-methylpropanal?
(2R)-3-amino-2-methylpropanal has a molecular weight of 87.12 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-methylpropanal is sourced from PubChem (CID 152765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).