1-(prop-1-en-2-ylamino)ethane-1,2-diol

C5H11NO2 — CID 134469667

IUPAC1-(prop-1-en-2-ylamino)ethane-1,2-diol
SMILESC=C(C)NC(O)CO
InChIInChI=1S/C5H11NO2/c1-4(2)6-5(8)3-7/h5-8H,1,3H2,2H3
InChIKeyGDWCUWIIAHKWGW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.58
Rot. Bonds3

About 1-(prop-1-en-2-ylamino)ethane-1,2-diol

1-(prop-1-en-2-ylamino)ethane-1,2-diol (PubChem CID 134469667) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(prop-1-en-2-ylamino)ethane-1,2-diol.

Molecular Properties

Compound Name1-(prop-1-en-2-ylamino)ethane-1,2-diol
PubChem CID134469667
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(prop-1-en-2-ylamino)ethane-1,2-diol
SMILESC=C(C)NC(O)CO
InChIInChI=1S/C5H11NO2/c1-4(2)6-5(8)3-7/h5-8H,1,3H2,2H3
InChIKeyGDWCUWIIAHKWGW-UHFFFAOYSA-N
XLogP-0.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-1-en-2-ylamino)ethane-1,2-diol?
The IUPAC name of 1-(prop-1-en-2-ylamino)ethane-1,2-diol (CID 134469667) is 1-(prop-1-en-2-ylamino)ethane-1,2-diol.
What is the SMILES notation for 1-(prop-1-en-2-ylamino)ethane-1,2-diol?
The canonical SMILES for 1-(prop-1-en-2-ylamino)ethane-1,2-diol is C=C(C)NC(O)CO.
What is the InChIKey of 1-(prop-1-en-2-ylamino)ethane-1,2-diol?
The InChIKey is GDWCUWIIAHKWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2)6-5(8)3-7/h5-8H,1,3H2,2H3.
What are the key properties of 1-(prop-1-en-2-ylamino)ethane-1,2-diol?
1-(prop-1-en-2-ylamino)ethane-1,2-diol has a molecular weight of 117.15 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-en-2-ylamino)ethane-1,2-diol is sourced from PubChem (CID 134469667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).