ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate

C12H24N2O2 — CID 81467706

IUPACethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CC(C)N(C)C1
InChIInChI=1S/C12H24N2O2/c1-6-16-11(15)12(13-9(2)3)7-10(4)14(5)8-12/h9-10,13H,6-8H2,1-5H3
InChIKeyUOFILMTZOFWMBS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate

ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate (PubChem CID 81467706) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
PubChem CID81467706
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CC(C)N(C)C1
InChIInChI=1S/C12H24N2O2/c1-6-16-11(15)12(13-9(2)3)7-10(4)14(5)8-12/h9-10,13H,6-8H2,1-5H3
InChIKeyUOFILMTZOFWMBS-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate (CID 81467706) is ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate is CCOC(=O)C1(NC(C)C)CC(C)N(C)C1.
What is the InChIKey of ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The InChIKey is UOFILMTZOFWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-16-11(15)12(13-9(2)3)7-10(4)14(5)8-12/h9-10,13H,6-8H2,1-5H3.
What are the key properties of ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 81467706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).