[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate

C10H15N3O4 — CID 23288492

IUPAC[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C10H15N3O4/c1-2-9(15)17-7-8(14)11-3-5-13-6-4-12-10(13)16/h2H,1,3-7H2,(H,11,14)(H,12,16)
InChIKeyCMRQVGFWQHPEFX-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.14
Rot. Bonds6

About [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate

[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate (PubChem CID 23288492) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate
PubChem CID23288492
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C10H15N3O4/c1-2-9(15)17-7-8(14)11-3-5-13-6-4-12-10(13)16/h2H,1,3-7H2,(H,11,14)(H,12,16)
InChIKeyCMRQVGFWQHPEFX-UHFFFAOYSA-N
XLogP-1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
CID 59804618
N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 18454819
3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid
CID 2810717
(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
CID 88552348
2-[2-(2-oxoimidazolidin-1-yl)ethylamino]oxyacetamide
CID 112673784
2-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-propylacetamide
CID 43567382
N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
CID 3021104
1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 164786158
2,2,4,4-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pentanamide
CID 129177607
1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one
CID 130421996
[2-oxo-2-[2-(pentanoylamino)ethylamino]ethyl] prop-2-enoate
CID 171651417
N-(2-methylpropyl)-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetamide
CID 113405105

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate?
The IUPAC name of [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate (CID 23288492) is [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate is C=CC(=O)OCC(=O)NCCN1CCNC1=O.
What is the InChIKey of [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate?
The InChIKey is CMRQVGFWQHPEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-9(15)17-7-8(14)11-3-5-13-6-4-12-10(13)16/h2H,1,3-7H2,(H,11,14)(H,12,16).
What are the key properties of [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate?
[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate has a molecular weight of 241.25 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate is sourced from PubChem (CID 23288492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).