2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C14H20N2O7 — CID 20643781

IUPAC2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC(=O)OC1CCOC1=O
InChIInChI=1S/C14H20N2O7/c1-9(2)12(18)22-8-6-16-14(20)15-5-3-11(17)23-10-4-7-21-13(10)19/h10H,1,3-8H2,2H3,(H2,15,16,20)
InChIKeyLERDBOXXIJCDMU-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.35
Rot. Bonds8

About 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20643781) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID20643781
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC(=O)OC1CCOC1=O
InChIInChI=1S/C14H20N2O7/c1-9(2)12(18)22-8-6-16-14(20)15-5-3-11(17)23-10-4-7-21-13(10)19/h10H,1,3-8H2,2H3,(H2,15,16,20)
InChIKeyLERDBOXXIJCDMU-UHFFFAOYSA-N
XLogP-0.35
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.35
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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Related Compounds

[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
CID 20643852
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
CID 61315040
hydrazine;(2-oxooxolan-3-yl) 3-[bis(2-ethoxyethyl)amino]propanoate
CID 162054409
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580
[17-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]-4-oxoheptadecyl] 2-methylprop-2-enoate
CID 161284474

Frequently Asked Questions

What is the IUPAC name of 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 20643781) is 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCC(=O)OC1CCOC1=O.
What is the InChIKey of 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is LERDBOXXIJCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-9(2)12(18)22-8-6-16-14(20)15-5-3-11(17)23-10-4-7-21-13(10)19/h10H,1,3-8H2,2H3,(H2,15,16,20).
What are the key properties of 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 328.32 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).