2-aminoethanol;2-hydroxyethyl prop-2-enoate

C7H15NO4 — CID 158127048

IUPAC2-aminoethanol;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NCCO
InChIInChI=1S/C5H8O3.C2H7NO/c1-2-5(7)8-4-3-6;3-1-2-4/h2,6H,1,3-4H2;4H,1-3H2
InChIKeyFSHRUNSTGZDXHU-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.35
Rot. Bonds4

About 2-aminoethanol;2-hydroxyethyl prop-2-enoate

2-aminoethanol;2-hydroxyethyl prop-2-enoate (PubChem CID 158127048) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-aminoethanol;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-aminoethanol;2-hydroxyethyl prop-2-enoate
PubChem CID158127048
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-aminoethanol;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NCCO
InChIInChI=1S/C5H8O3.C2H7NO/c1-2-5(7)8-4-3-6;3-1-2-4/h2,6H,1,3-4H2;4H,1-3H2
InChIKeyFSHRUNSTGZDXHU-UHFFFAOYSA-N
XLogP-1.35
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-aminoethanol;prop-2-enoic acid
CID 19812730

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-hydroxyethyl prop-2-enoate?
The IUPAC name of 2-aminoethanol;2-hydroxyethyl prop-2-enoate (CID 158127048) is 2-aminoethanol;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for 2-aminoethanol;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for 2-aminoethanol;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.NCCO.
What is the InChIKey of 2-aminoethanol;2-hydroxyethyl prop-2-enoate?
The InChIKey is FSHRUNSTGZDXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C2H7NO/c1-2-5(7)8-4-3-6;3-1-2-4/h2,6H,1,3-4H2;4H,1-3H2.
What are the key properties of 2-aminoethanol;2-hydroxyethyl prop-2-enoate?
2-aminoethanol;2-hydroxyethyl prop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 158127048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).