3-(2-aminoethylamino)-2-hydroxypropanal

C5H12N2O2 — CID 19778775

IUPAC3-(2-aminoethylamino)-2-hydroxypropanal
SMILESNCCNCC(O)C=O
InChIInChI=1S/C5H12N2O2/c6-1-2-7-3-5(9)4-8/h4-5,7,9H,1-3,6H2
InChIKeyTWOZHKGQDLDGLI-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.91
Rot. Bonds5

About 3-(2-aminoethylamino)-2-hydroxypropanal

3-(2-aminoethylamino)-2-hydroxypropanal (PubChem CID 19778775) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(2-aminoethylamino)-2-hydroxypropanal
PubChem CID19778775
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-(2-aminoethylamino)-2-hydroxypropanal
SMILESNCCNCC(O)C=O
InChIInChI=1S/C5H12N2O2/c6-1-2-7-3-5(9)4-8/h4-5,7,9H,1-3,6H2
InChIKeyTWOZHKGQDLDGLI-UHFFFAOYSA-N
XLogP-1.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-2-hydroxypropanal?
The IUPAC name of 3-(2-aminoethylamino)-2-hydroxypropanal (CID 19778775) is 3-(2-aminoethylamino)-2-hydroxypropanal.
What is the SMILES notation for 3-(2-aminoethylamino)-2-hydroxypropanal?
The canonical SMILES for 3-(2-aminoethylamino)-2-hydroxypropanal is NCCNCC(O)C=O.
What is the InChIKey of 3-(2-aminoethylamino)-2-hydroxypropanal?
The InChIKey is TWOZHKGQDLDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-1-2-7-3-5(9)4-8/h4-5,7,9H,1-3,6H2.
What are the key properties of 3-(2-aminoethylamino)-2-hydroxypropanal?
3-(2-aminoethylamino)-2-hydroxypropanal has a molecular weight of 132.16 g/mol, XLogP of -1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-2-hydroxypropanal is sourced from PubChem (CID 19778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).