methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate

C10H20N2O2 — CID 83847982

IUPACmethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
SMILESCCNC1CN(C)C(C)C1C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyMMUYEEUOHMTVLB-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate

methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate (PubChem CID 83847982) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
PubChem CID83847982
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
SMILESCCNC1CN(C)C(C)C1C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyMMUYEEUOHMTVLB-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate (CID 83847982) is methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate is CCNC1CN(C)C(C)C1C(=O)OC.
What is the InChIKey of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The InChIKey is MMUYEEUOHMTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 83847982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).