propan-2-yl 4-methoxypyrrolidine-2-carboxylate

C9H17NO3 — CID 43628494

IUPACpropan-2-yl 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OC(C)C)C1
InChIInChI=1S/C9H17NO3/c1-6(2)13-9(11)8-4-7(12-3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyQSRYYLJUJKZVTN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds3

About propan-2-yl 4-methoxypyrrolidine-2-carboxylate

propan-2-yl 4-methoxypyrrolidine-2-carboxylate (PubChem CID 43628494) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propan-2-yl 4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methoxypyrrolidine-2-carboxylate
PubChem CID43628494
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropan-2-yl 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OC(C)C)C1
InChIInChI=1S/C9H17NO3/c1-6(2)13-9(11)8-4-7(12-3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyQSRYYLJUJKZVTN-UHFFFAOYSA-N
XLogP0.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 4-methoxypyrrolidine-2-carboxylate (CID 43628494) is propan-2-yl 4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-methoxypyrrolidine-2-carboxylate is COC1CNC(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 4-methoxypyrrolidine-2-carboxylate?
The InChIKey is QSRYYLJUJKZVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)13-9(11)8-4-7(12-3)5-10-8/h6-8,10H,4-5H2,1-3H3.
What are the key properties of propan-2-yl 4-methoxypyrrolidine-2-carboxylate?
propan-2-yl 4-methoxypyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 43628494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).