2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate

C10H15NO5 — CID 155635336

IUPAC2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate
SMILESC=C(C(=C)C(=O)OCCO)C(=O)NCCO
InChIInChI=1S/C10H15NO5/c1-7(9(14)11-3-4-12)8(2)10(15)16-6-5-13/h12-13H,1-6H2,(H,11,14)
InChIKeyUFNVQXDYAAPDBF-UHFFFAOYSA-N
MW229.23 g/mol
LogP-1.26
Rot. Bonds7

About 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate

2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate (PubChem CID 155635336) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate
PubChem CID155635336
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate
SMILESC=C(C(=C)C(=O)OCCO)C(=O)NCCO
InChIInChI=1S/C10H15NO5/c1-7(9(14)11-3-4-12)8(2)10(15)16-6-5-13/h12-13H,1-6H2,(H,11,14)
InChIKeyUFNVQXDYAAPDBF-UHFFFAOYSA-N
XLogP-1.26
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-(3-hydroxypropyl) 4-O-methyl 2,3-dimethylidenebutanedioate
CID 140998471
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
CID 118963165
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate
CID 174525354
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
2-hydroxyethyl 2,3-dimethylpenta-2,4-dienoate
CID 175185159
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate?
The IUPAC name of 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate (CID 155635336) is 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate.
What is the SMILES notation for 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate?
The canonical SMILES for 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate is C=C(C(=C)C(=O)OCCO)C(=O)NCCO.
What is the InChIKey of 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate?
The InChIKey is UFNVQXDYAAPDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7(9(14)11-3-4-12)8(2)10(15)16-6-5-13/h12-13H,1-6H2,(H,11,14).
What are the key properties of 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate?
2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate has a molecular weight of 229.23 g/mol, XLogP of -1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate is sourced from PubChem (CID 155635336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).