tert-butyl 2-methoxypyrrolidine-1-carboxylate

C10H19NO3 — CID 10899667

IUPACtert-butyl 2-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h8H,5-7H2,1-4H3
InChIKeyDPXHOJKWWBPIKK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds1

About tert-butyl 2-methoxypyrrolidine-1-carboxylate

tert-butyl 2-methoxypyrrolidine-1-carboxylate (PubChem CID 10899667) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 2-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxypyrrolidine-1-carboxylate
PubChem CID10899667
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 2-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h8H,5-7H2,1-4H3
InChIKeyDPXHOJKWWBPIKK-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methoxypyrrolidine-1-carboxylate (CID 10899667) is tert-butyl 2-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methoxypyrrolidine-1-carboxylate is COC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxypyrrolidine-1-carboxylate?
The InChIKey is DPXHOJKWWBPIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-methoxypyrrolidine-1-carboxylate?
tert-butyl 2-methoxypyrrolidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10899667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).