2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate

C10H20N2O3 — CID 87059682

IUPAC2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate
SMILESC=CCNCCCNCC(=O)OCCO
InChIInChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12-9-10(14)15-8-7-13/h2,11-13H,1,3-9H2
InChIKeyFIHPUGOBRQNUAT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.72
Rot. Bonds10

About 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate

2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate (PubChem CID 87059682) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate
PubChem CID87059682
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate
SMILESC=CCNCCCNCC(=O)OCCO
InChIInChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12-9-10(14)15-8-7-13/h2,11-13H,1,3-9H2
InChIKeyFIHPUGOBRQNUAT-UHFFFAOYSA-N
XLogP-0.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate?
The IUPAC name of 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate (CID 87059682) is 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate is C=CCNCCCNCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate?
The InChIKey is FIHPUGOBRQNUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-4-11-5-3-6-12-9-10(14)15-8-7-13/h2,11-13H,1,3-9H2.
What are the key properties of 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate?
2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate has a molecular weight of 216.28 g/mol, XLogP of -0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[3-(prop-2-enylamino)propylamino]acetate is sourced from PubChem (CID 87059682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).