(2S)-2-aminobutanal

C4H8NO- — CID 138857479

IUPAC(2S)-2-aminobutanal
SMILES[CH2-]C[C@H](N)C=O
InChIInChI=1S/C4H8NO/c1-2-4(5)3-6/h3-4H,1-2,5H2/q-1/t4-/m0/s1
InChIKeyFBORFTOIAJJMEK-BYPYZUCNSA-N
MW86.11 g/mol
LogP-0.26
Rot. Bonds2

About (2S)-2-aminobutanal

(2S)-2-aminobutanal (PubChem CID 138857479) has the molecular formula C4H8NO- and a molecular weight of 86.11 g/mol. Its IUPAC name is (2S)-2-aminobutanal.

Molecular Properties

Compound Name(2S)-2-aminobutanal
PubChem CID138857479
Molecular FormulaC4H8NO-
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name(2S)-2-aminobutanal
SMILES[CH2-]C[C@H](N)C=O
InChIInChI=1S/C4H8NO/c1-2-4(5)3-6/h3-4H,1-2,5H2/q-1/t4-/m0/s1
InChIKeyFBORFTOIAJJMEK-BYPYZUCNSA-N
XLogP-0.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-aminobutanal 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 (2S)-2-aminobutanal?
The IUPAC name of (2S)-2-aminobutanal (CID 138857479) is (2S)-2-aminobutanal.
What is the SMILES notation for (2S)-2-aminobutanal?
The canonical SMILES for (2S)-2-aminobutanal is [CH2-]C[C@H](N)C=O.
What is the InChIKey of (2S)-2-aminobutanal?
The InChIKey is FBORFTOIAJJMEK-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8NO/c1-2-4(5)3-6/h3-4H,1-2,5H2/q-1/t4-/m0/s1.
What are the key properties of (2S)-2-aminobutanal?
(2S)-2-aminobutanal has a molecular weight of 86.11 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanal is sourced from PubChem (CID 138857479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).