2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate

C11H22N2O2 — CID 102783669

IUPAC2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)C1CN
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-4-9(3)10(13)6-12/h8-10H,4-7,12H2,1-3H3
InChIKeyKBTYNNVLNWIFAP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.45
Rot. Bonds3

About 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate

2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 102783669) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID102783669
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)C1CN
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-4-9(3)10(13)6-12/h8-10H,4-7,12H2,1-3H3
InChIKeyKBTYNNVLNWIFAP-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate (CID 102783669) is 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCC(C)C1CN.
What is the InChIKey of 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is KBTYNNVLNWIFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-4-9(3)10(13)6-12/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(aminomethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 102783669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).