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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Related Compounds

Ethyl 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 61976795
Ethyl 1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 62976416
Ethyl 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 62976593
Methyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 81468734
Ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 81468834
Methyl 1-cyclopropyl-5-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 116236357
Ethyl 1-cyclopropyl-5-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
CID 116236358
Butyl 2,5-diazabicyclo[2.2.1]heptane-1-carboxylate
CID 17988796
Ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
CID 20763173
Ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate
CID 21311669
methyl (4R)-4-(dimethylamino)-L-prolinate
CID 51072228
Methyl 4-(dimethylamino)pyrrolidine-2-carboxylate
CID 53415159

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).