2-aminoethanol;2-hydroxypropanal

C5H13NO3 — CID 88787093

IUPAC2-aminoethanol;2-hydroxypropanal
SMILESCC(O)C=O.NCCO
InChIInChI=1S/C3H6O2.C2H7NO/c1-3(5)2-4;3-1-2-4/h2-3,5H,1H3;4H,1-3H2
InChIKeyLCTJAWSCVFPABI-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.50
Rot. Bonds2

About 2-aminoethanol;2-hydroxypropanal

2-aminoethanol;2-hydroxypropanal (PubChem CID 88787093) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-aminoethanol;2-hydroxypropanal.

Molecular Properties

Compound Name2-aminoethanol;2-hydroxypropanal
PubChem CID88787093
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-aminoethanol;2-hydroxypropanal
SMILESCC(O)C=O.NCCO
InChIInChI=1S/C3H6O2.C2H7NO/c1-3(5)2-4;3-1-2-4/h2-3,5H,1H3;4H,1-3H2
InChIKeyLCTJAWSCVFPABI-UHFFFAOYSA-N
XLogP-1.50
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy(1,2,3-13C3)propanal
CID 169442815
tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
2-aminoethanol;bis(1-aminopropan-2-ol)
CID 88781577
2-aminoethanol;N,N-dimethylformamide
CID 88603613
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
2-aminoethanol;ethane
CID 90703907
2-aminoethanol;propane-1,1-diol
CID 88518162
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 87375731
2-aminoethanol
CID 159229127
2-aminoethanol;selenous acid
CID 174161223
aminomethyl-dihydroxy-methylphosphanium
CID 6395030

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-hydroxypropanal?
The IUPAC name of 2-aminoethanol;2-hydroxypropanal (CID 88787093) is 2-aminoethanol;2-hydroxypropanal.
What is the SMILES notation for 2-aminoethanol;2-hydroxypropanal?
The canonical SMILES for 2-aminoethanol;2-hydroxypropanal is CC(O)C=O.NCCO.
What is the InChIKey of 2-aminoethanol;2-hydroxypropanal?
The InChIKey is LCTJAWSCVFPABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H7NO/c1-3(5)2-4;3-1-2-4/h2-3,5H,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;2-hydroxypropanal?
2-aminoethanol;2-hydroxypropanal has a molecular weight of 135.16 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-hydroxypropanal is sourced from PubChem (CID 88787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).