methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate

C12H24N2O2 — CID 79313620

IUPACmethyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-13(8-5-7-12(15)16-3)10-11-6-4-9-14(11)2/h11H,4-10H2,1-3H3
InChIKeyHUHDBHYFDVVMQI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate

methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate (PubChem CID 79313620) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
PubChem CID79313620
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-13(8-5-7-12(15)16-3)10-11-6-4-9-14(11)2/h11H,4-10H2,1-3H3
InChIKeyHUHDBHYFDVVMQI-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
methyl 3-[[(2S)-1-methylpyrrolidin-2-yl]methylsulfanyl]propanoate
CID 138638056
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79312803
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate (CID 79313620) is methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate is COC(=O)CCCN(C)CC1CCCN1C.
What is the InChIKey of methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate?
The InChIKey is HUHDBHYFDVVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(8-5-7-12(15)16-3)10-11-6-4-9-14(11)2/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate?
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate is sourced from PubChem (CID 79313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).