methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate

C12H24N2O2 — CID 106020245

IUPACmethyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)13-8-11-6-5-7-14(11)3/h9-11,13H,5-8H2,1-4H3
InChIKeyQAIZJMAFNSODLP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate

methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate (PubChem CID 106020245) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
PubChem CID106020245
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)13-8-11-6-5-7-14(11)3/h9-11,13H,5-8H2,1-4H3
InChIKeyQAIZJMAFNSODLP-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}propanoate
CID 43242654
Ethyl 4-(tert-butylamino)pyrrolidine-3-carboxylate
CID 57753019
Ethyl 4-amino-1-methylpyrrolidine-3-carboxylate
CID 58664104
methyl (2S,3S)-1-methanidyl-2-methylpyrrolidin-1-ium-3-carboxylate
CID 59130896
methyl 2-[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]acetate
CID 59215893
methyl (3S)-4-amino-1-methylpyrrolidine-3-carboxylate
CID 59876331
methyl (3S)-1-methyl-4-(methylamino)pyrrolidine-3-carboxylate
CID 59876365
Methyl 4-(methylamino)pyrrolidine-3-carboxylate
CID 59883104
ethyl (3R,4R)-4-amino-1-methylpyrrolidine-3-carboxylate
CID 68271576
ethyl (3R,4R)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
CID 68272007
Methyl 4-aminopyrrolidine-3-carboxylate
CID 71303265
Methyl 4-amino-1-methylpyrrolidine-3-carboxylate
CID 72585236

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate (CID 106020245) is methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate is COC(=O)C(C)C(C)NCC1CCCN1C.
What is the InChIKey of methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The InChIKey is QAIZJMAFNSODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)13-8-11-6-5-7-14(11)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate is sourced from PubChem (CID 106020245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).