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

C11H22N2O2 — CID 81467607

IUPACmethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NC(C)C)CC(C)N(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(10(14)15-5)6-9(3)13(4)7-11/h8-9,12H,6-7H2,1-5H3
InChIKeyMNVIRDGIEZJPMP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds3

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

methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate (PubChem CID 81467607) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
PubChem CID81467607
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NC(C)C)CC(C)N(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(10(14)15-5)6-9(3)13(4)7-11/h8-9,12H,6-7H2,1-5H3
InChIKeyMNVIRDGIEZJPMP-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate (CID 81467607) is methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate is COC(=O)C1(NC(C)C)CC(C)N(C)C1.
What is the InChIKey of methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
The InChIKey is MNVIRDGIEZJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)12-11(10(14)15-5)6-9(3)13(4)7-11/h8-9,12H,6-7H2,1-5H3.
What are the key properties of methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate?
methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 81467607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).