2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate

C8H13NO5 — CID 118963165

IUPAC2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
SMILESC=C(C(N)=O)C(=O)OCCOCCO
InChIInChI=1S/C8H13NO5/c1-6(7(9)11)8(12)14-5-4-13-3-2-10/h10H,1-5H2,(H2,9,11)
InChIKeyORAHGNQUMRQJAL-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.42
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate

2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate (PubChem CID 118963165) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
PubChem CID118963165
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
SMILESC=C(C(N)=O)C(=O)OCCOCCO
InChIInChI=1S/C8H13NO5/c1-6(7(9)11)8(12)14-5-4-13-3-2-10/h10H,1-5H2,(H2,9,11)
InChIKeyORAHGNQUMRQJAL-UHFFFAOYSA-N
XLogP-1.42
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
CID 88500447
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491
bis(2-butoxyethyl) 2-methylidenepropanedioate
CID 156690471
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate (CID 118963165) is 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate is C=C(C(N)=O)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate?
The InChIKey is ORAHGNQUMRQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-6(7(9)11)8(12)14-5-4-13-3-2-10/h10H,1-5H2,(H2,9,11).
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate?
2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate has a molecular weight of 203.19 g/mol, XLogP of -1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate is sourced from PubChem (CID 118963165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).