methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate

C13H26N2O2 — CID 117022946

IUPACmethyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCCN(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2)11(12(16)17-5)7-10-15(13)9-6-8-14(3)4/h11H,6-10H2,1-5H3
InChIKeyOULPSVJDKXARRV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds5

About methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate

methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate (PubChem CID 117022946) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
PubChem CID117022946
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCCN(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2)11(12(16)17-5)7-10-15(13)9-6-8-14(3)4/h11H,6-10H2,1-5H3
InChIKeyOULPSVJDKXARRV-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545
methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
CID 115688743
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
CID 117017918
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
methyl 1-[N'-[7-(dimethylamino)heptyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111255043
methyl 3-[2-(dimethylamino)ethyl]-3-methyloxirane-2-carboxylate
CID 165447672
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine
CID 117019273
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate (CID 117022946) is methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate is COC(=O)C1CCN(CCCN(C)C)C1(C)C.
What is the InChIKey of methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate?
The InChIKey is OULPSVJDKXARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2)11(12(16)17-5)7-10-15(13)9-6-8-14(3)4/h11H,6-10H2,1-5H3.
What are the key properties of methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate?
methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 117022946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).