tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate

C13H25NO3 — CID 91169960

IUPACtert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate
SMILESCC(C)COC1(C(=O)OC(C)(C)C)CCCN1
InChIInChI=1S/C13H25NO3/c1-10(2)9-16-13(7-6-8-14-13)11(15)17-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeySGQCEDPKQHBMPN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate

tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate (PubChem CID 91169960) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate
PubChem CID91169960
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate
SMILESCC(C)COC1(C(=O)OC(C)(C)C)CCCN1
InChIInChI=1S/C13H25NO3/c1-10(2)9-16-13(7-6-8-14-13)11(15)17-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeySGQCEDPKQHBMPN-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate (CID 91169960) is tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate is CC(C)COC1(C(=O)OC(C)(C)C)CCCN1.
What is the InChIKey of tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate?
The InChIKey is SGQCEDPKQHBMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)9-16-13(7-6-8-14-13)11(15)17-12(3,4)5/h10,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate?
tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91169960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).