[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate

C13H21NO5 — CID 58210218

IUPAC[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CCN1CC1C
InChIInChI=1S/C13H21NO5/c1-9(2)13(17)19-8-11(15)7-18-12(16)4-5-14-6-10(14)3/h10-11,15H,1,4-8H2,2-3H3
InChIKeyQTTPTICIKQDYPO-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.10
Rot. Bonds8

About [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate (PubChem CID 58210218) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate
PubChem CID58210218
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CCN1CC1C
InChIInChI=1S/C13H21NO5/c1-9(2)13(17)19-8-11(15)7-18-12(16)4-5-14-6-10(14)3/h10-11,15H,1,4-8H2,2-3H3
InChIKeyQTTPTICIKQDYPO-UHFFFAOYSA-N
XLogP0.10
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] butanedioate
CID 170691807
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
tributyl-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxopropyl]phosphanium acetate
CID 10896068
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
4-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butoxy]-4-oxobutanoic acid
CID 87260744
[3-[3-[[3-(3-formyloxy-2-hydroxypropoxy)-3-oxopropyl]disulfanyl]propanoyloxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139453971
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 140652815

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate (CID 58210218) is [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)CCN1CC1C.
What is the InChIKey of [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate?
The InChIKey is QTTPTICIKQDYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9(2)13(17)19-8-11(15)7-18-12(16)4-5-14-6-10(14)3/h10-11,15H,1,4-8H2,2-3H3.
What are the key properties of [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate has a molecular weight of 271.31 g/mol, XLogP of 0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-(2-methylaziridin-1-yl)propanoyloxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58210218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).