tert-butyl 3-methylpyrrolidine-3-carboxylate

C10H19NO2 — CID 63144761

IUPACtert-butyl 3-methylpyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3
InChIKeyBFADEDYJKXBUPD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds1

About tert-butyl 3-methylpyrrolidine-3-carboxylate

tert-butyl 3-methylpyrrolidine-3-carboxylate (PubChem CID 63144761) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methylpyrrolidine-3-carboxylate
PubChem CID63144761
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 3-methylpyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3
InChIKeyBFADEDYJKXBUPD-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylpyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 3-methylpyrrolidine-3-carboxylate (CID 63144761) is tert-butyl 3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 3-methylpyrrolidine-3-carboxylate is CC(C)(C)OC(=O)C1(C)CCNC1.
What is the InChIKey of tert-butyl 3-methylpyrrolidine-3-carboxylate?
The InChIKey is BFADEDYJKXBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-methylpyrrolidine-3-carboxylate?
tert-butyl 3-methylpyrrolidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 63144761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).