methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate

C12H24N2O2 — CID 115688743

IUPACmethyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(CCCN(C)C)CC1C
InChIInChI=1S/C12H24N2O2/c1-10-8-14(7-5-6-13(2)3)9-11(10)12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyTYKBFCOHIAFAIP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.68
Rot. Bonds5

About methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate

methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate (PubChem CID 115688743) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
PubChem CID115688743
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(CCCN(C)C)CC1C
InChIInChI=1S/C12H24N2O2/c1-10-8-14(7-5-6-13(2)3)9-11(10)12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyTYKBFCOHIAFAIP-UHFFFAOYSA-N
XLogP0.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-(2-tert-butylsulfonylethyl)-4-methylpyrrolidine-3-carboxylate
CID 113254226
1-[3-(dimethylamino)propyl]azetidin-3-ol
CID 115773117
1-[4-(dimethylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55226118
methyl 1-[(2,6-difluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 113346203
methyl 1-(furan-3-ylmethyl)-4-methylpyrrolidine-3-carboxylate
CID 83082533
methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022946
methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
CID 120854764
4-methyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090440
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyrrolidine-3-carboxylate
CID 107113533
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate (CID 115688743) is methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(CCCN(C)C)CC1C.
What is the InChIKey of methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate?
The InChIKey is TYKBFCOHIAFAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-8-14(7-5-6-13(2)3)9-11(10)12(15)16-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate?
methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.68, 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]-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 115688743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).