tert-butyl 2-methylpyrrolidine-1-carboxylate

C10H19NO2 — CID 10081260

IUPACtert-butyl 2-methylpyrrolidine-1-carboxylate
SMILESCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPPUYUEPZGGATCN-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.41
Rot. Bonds

About tert-butyl 2-methylpyrrolidine-1-carboxylate

tert-butyl 2-methylpyrrolidine-1-carboxylate (PubChem CID 10081260) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methylpyrrolidine-1-carboxylate
PubChem CID10081260
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 2-methylpyrrolidine-1-carboxylate
SMILESCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPPUYUEPZGGATCN-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methylpyrrolidine-1-carboxylate (CID 10081260) is tert-butyl 2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methylpyrrolidine-1-carboxylate is CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methylpyrrolidine-1-carboxylate?
The InChIKey is PPUYUEPZGGATCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-methylpyrrolidine-1-carboxylate?
tert-butyl 2-methylpyrrolidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10081260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).