2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate

C12H16N2O7 — CID 20643852

IUPAC2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC1CCOC1=O
InChIInChI=1S/C12H16N2O7/c1-2-9(15)19-6-4-13-12(18)14-7-10(16)21-8-3-5-20-11(8)17/h2,8H,1,3-7H2,(H2,13,14,18)
InChIKeyFRBULOWTMHLORQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP-1.13
Rot. Bonds7

About 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate

2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate (PubChem CID 20643852) has the molecular formula C12H16N2O7 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
PubChem CID20643852
Molecular FormulaC12H16N2O7
Molecular Weight300.27 g/mol
Exact Mass300.10
IUPAC Name2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC1CCOC1=O
InChIInChI=1S/C12H16N2O7/c1-2-9(15)19-6-4-13-12(18)14-7-10(16)21-8-3-5-20-11(8)17/h2,8H,1,3-7H2,(H2,13,14,18)
InChIKeyFRBULOWTMHLORQ-UHFFFAOYSA-N
XLogP-1.13
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate (CID 20643852) is 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)NCC(=O)OC1CCOC1=O.
What is the InChIKey of 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate?
The InChIKey is FRBULOWTMHLORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O7/c1-2-9(15)19-6-4-13-12(18)14-7-10(16)21-8-3-5-20-11(8)17/h2,8H,1,3-7H2,(H2,13,14,18).
What are the key properties of 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate?
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate has a molecular weight of 300.27 g/mol, XLogP of -1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 20643852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).