2-aminoethanol;prop-2-enamide

C5H12N2O2 — CID 160789080

IUPAC2-aminoethanol;prop-2-enamide
SMILESC=CC(N)=O.NCCO
InChIInChI=1S/C3H5NO.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H2,4,5);4H,1-3H2
InChIKeySBPIHJFNXYZBIE-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.40
Rot. Bonds2

About 2-aminoethanol;prop-2-enamide

2-aminoethanol;prop-2-enamide (PubChem CID 160789080) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-aminoethanol;prop-2-enamide.

Molecular Properties

Compound Name2-aminoethanol;prop-2-enamide
PubChem CID160789080
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-aminoethanol;prop-2-enamide
SMILESC=CC(N)=O.NCCO
InChIInChI=1S/C3H5NO.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H2,4,5);4H,1-3H2
InChIKeySBPIHJFNXYZBIE-UHFFFAOYSA-N
XLogP-1.40
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminoethanol;prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
2-aminoethanol;prop-2-enoic acid
CID 19812730
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
2-aminoacetic acid;prop-2-enamide
CID 87241070
potassium;prop-2-enamide;chloride
CID 161245795
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
CID 175387410
CID 175387410
CID 172708986
CID 172708986
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;prop-2-enamide?
The IUPAC name of 2-aminoethanol;prop-2-enamide (CID 160789080) is 2-aminoethanol;prop-2-enamide.
What is the SMILES notation for 2-aminoethanol;prop-2-enamide?
The canonical SMILES for 2-aminoethanol;prop-2-enamide is C=CC(N)=O.NCCO.
What is the InChIKey of 2-aminoethanol;prop-2-enamide?
The InChIKey is SBPIHJFNXYZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H2,4,5);4H,1-3H2.
What are the key properties of 2-aminoethanol;prop-2-enamide?
2-aminoethanol;prop-2-enamide has a molecular weight of 132.16 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;prop-2-enamide is sourced from PubChem (CID 160789080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).