(2R)-2,4-diaminobutanal

C4H10N2O — CID 88964575

IUPAC(2R)-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-/m1/s1
InChIKeyDOKJAPJBVGXVGD-SCSAIBSYSA-N
MW102.14 g/mol
LogP-1.14
Rot. Bonds3

About (2R)-2,4-diaminobutanal

(2R)-2,4-diaminobutanal (PubChem CID 88964575) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (2R)-2,4-diaminobutanal.

Molecular Properties

Compound Name(2R)-2,4-diaminobutanal
PubChem CID88964575
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(2R)-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-/m1/s1
InChIKeyDOKJAPJBVGXVGD-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diaminobutanal?
The IUPAC name of (2R)-2,4-diaminobutanal (CID 88964575) is (2R)-2,4-diaminobutanal.
What is the SMILES notation for (2R)-2,4-diaminobutanal?
The canonical SMILES for (2R)-2,4-diaminobutanal is NCC[C@@H](N)C=O.
What is the InChIKey of (2R)-2,4-diaminobutanal?
The InChIKey is DOKJAPJBVGXVGD-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10N2O/c5-2-1-4(6)3-7/h3-4H,1-2,5-6H2/t4-/m1/s1.
What are the key properties of (2R)-2,4-diaminobutanal?
(2R)-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 (2R)-2,4-diaminobutanal is sourced from PubChem (CID 88964575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).