propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate

C8H14N2O3 — CID 139260826

IUPACpropan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1(C)CNC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-5(2)13-6(11)8(3)4-9-7(12)10-8/h5H,4H2,1-3H3,(H2,9,10,12)
InChIKeyWSQPNPQIWOJMPJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.01
Rot. Bonds2

About propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate

propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 139260826) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID139260826
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namepropan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1(C)CNC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-5(2)13-6(11)8(3)4-9-7(12)10-8/h5H,4H2,1-3H3,(H2,9,10,12)
InChIKeyWSQPNPQIWOJMPJ-UHFFFAOYSA-N
XLogP0.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate (CID 139260826) is propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate is CC(C)OC(=O)C1(C)CNC(=O)N1.
What is the InChIKey of propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is WSQPNPQIWOJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2)13-6(11)8(3)4-9-7(12)10-8/h5H,4H2,1-3H3,(H2,9,10,12).
What are the key properties of propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate?
propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 139260826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).