methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate

C11H23N3O2 — CID 62976966

IUPACmethyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCN(C)C1
InChIInChI=1S/C11H23N3O2/c1-13(2)8-6-12-11(10(15)16-4)5-7-14(3)9-11/h12H,5-9H2,1-4H3
InChIKeyFIFSAMBZGZMQSB-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.62
Rot. Bonds5

About methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate

methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate (PubChem CID 62976966) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
PubChem CID62976966
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namemethyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCN(C)C1
InChIInChI=1S/C11H23N3O2/c1-13(2)8-6-12-11(10(15)16-4)5-7-14(3)9-11/h12H,5-9H2,1-4H3
InChIKeyFIFSAMBZGZMQSB-UHFFFAOYSA-N
XLogP-0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
CID 62977535
methyl 3-(2-azidoethylamino)-1-methylpyrrolidine-3-carboxylate
CID 66189618
methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
CID 62977346
methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
CID 62977159
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
methyl 1-[2-(dimethylamino)ethylamino]-4-methylcycloheptane-1-carboxylate
CID 65085158
methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 61002750
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467403
ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62976971
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137
3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468825

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate (CID 62976966) is methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate is COC(=O)C1(NCCN(C)C)CCN(C)C1.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate?
The InChIKey is FIFSAMBZGZMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13(2)8-6-12-11(10(15)16-4)5-7-14(3)9-11/h12H,5-9H2,1-4H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate?
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 62976966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).