ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate

C14H28N2O2 — CID 120857952

IUPACethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)C)CCN(CC(C)(C)N)C1
InChIInChI=1S/C14H28N2O2/c1-6-18-12(17)14(11(2)3)7-8-16(10-14)9-13(4,5)15/h11H,6-10,15H2,1-5H3
InChIKeyCZQZGSSIDRJICU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds5

About ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate

ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 120857952) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID120857952
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)C)CCN(CC(C)(C)N)C1
InChIInChI=1S/C14H28N2O2/c1-6-18-12(17)14(11(2)3)7-8-16(10-14)9-13(4,5)15/h11H,6-10,15H2,1-5H3
InChIKeyCZQZGSSIDRJICU-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate (CID 120857952) is ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)C1(C(C)C)CCN(CC(C)(C)N)C1.
What is the InChIKey of ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is CZQZGSSIDRJICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-18-12(17)14(11(2)3)7-8-16(10-14)9-13(4,5)15/h11H,6-10,15H2,1-5H3.
What are the key properties of ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate?
ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 120857952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).