(2S)-2,4-diaminobutanal

C4H10N2O — CID 89279393

IUPAC(2S)-2,4-diaminobutanal
SMILESNCC[C@H](N)C=O
InChIInChI=1S/C4H10N2O/c5-2-1-4(6)3-7/h3-4H,1-2,5-6H2/t4-/m0/s1
InChIKeyDOKJAPJBVGXVGD-BYPYZUCNSA-N
MW102.14 g/mol
LogP-1.14
Rot. Bonds3

About (2S)-2,4-diaminobutanal

(2S)-2,4-diaminobutanal (PubChem CID 89279393) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (2S)-2,4-diaminobutanal.

Molecular Properties

Compound Name(2S)-2,4-diaminobutanal
PubChem CID89279393
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(2S)-2,4-diaminobutanal
SMILESNCC[C@H](N)C=O
InChIInChI=1S/C4H10N2O/c5-2-1-4(6)3-7/h3-4H,1-2,5-6H2/t4-/m0/s1
InChIKeyDOKJAPJBVGXVGD-BYPYZUCNSA-N
XLogP-1.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Aminobutanal
CID 118
4-Ammoniobutanal
CID 25245200
(2S)-2-aminobutanal
CID 446769
Asparaginaldehyd
CID 22862757
2-Aminobutanal
CID 18994465
2,4-Diaminobutanal
CID 19429673
3-Amino-4-oxobutanamide
CID 22284063
r-Aminobutyraldehyde
CID 96452593
(2S)-2-aminopentanal
CID 138857465
CID 138857479
CID 138857479
(2S)-4-amino-2-(dimethylamino)butanal
CID 123758443
3,4-Diaminobutanal
CID 18349953

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diaminobutanal?
The IUPAC name of (2S)-2,4-diaminobutanal (CID 89279393) is (2S)-2,4-diaminobutanal.
What is the SMILES notation for (2S)-2,4-diaminobutanal?
The canonical SMILES for (2S)-2,4-diaminobutanal is NCC[C@H](N)C=O.
What is the InChIKey of (2S)-2,4-diaminobutanal?
The InChIKey is DOKJAPJBVGXVGD-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10N2O/c5-2-1-4(6)3-7/h3-4H,1-2,5-6H2/t4-/m0/s1.
What are the key properties of (2S)-2,4-diaminobutanal?
(2S)-2,4-diaminobutanal has a molecular weight of 102.14 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diaminobutanal is sourced from PubChem (CID 89279393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).