propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate

C10H20N2O2 — CID 176935333

IUPACpropan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate
SMILESCCC1CC(C(=O)OC(C)C)NN1C
InChIInChI=1S/C10H20N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h7-9,11H,5-6H2,1-4H3
InChIKeyZTTLBEDSCOOTGO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.93
Rot. Bonds3

About propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate

propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate (PubChem CID 176935333) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate
PubChem CID176935333
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepropan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate
SMILESCCC1CC(C(=O)OC(C)C)NN1C
InChIInChI=1S/C10H20N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h7-9,11H,5-6H2,1-4H3
InChIKeyZTTLBEDSCOOTGO-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate?
The IUPAC name of propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate (CID 176935333) is propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate is CCC1CC(C(=O)OC(C)C)NN1C.
What is the InChIKey of propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate?
The InChIKey is ZTTLBEDSCOOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h7-9,11H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate?
propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-1-methylpyrazolidine-3-carboxylate is sourced from PubChem (CID 176935333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).