methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate

C12H25N3O2 — CID 63634901

IUPACmethyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
SMILESCNC(CN1CCN(C)C(C)(C)C1)C(=O)OC
InChIInChI=1S/C12H25N3O2/c1-12(2)9-15(7-6-14(12)4)8-10(13-3)11(16)17-5/h10,13H,6-9H2,1-5H3
InChIKeySAPNGJZEUWBFMF-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.23
Rot. Bonds4

About methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate

methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate (PubChem CID 63634901) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
PubChem CID63634901
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Namemethyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
SMILESCNC(CN1CCN(C)C(C)(C)C1)C(=O)OC
InChIInChI=1S/C12H25N3O2/c1-12(2)9-15(7-6-14(12)4)8-10(13-3)11(16)17-5/h10,13H,6-9H2,1-5H3
InChIKeySAPNGJZEUWBFMF-UHFFFAOYSA-N
XLogP-0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63634903
methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63159456
2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 106114835
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
ethyl 3-oxo-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 63897382
methyl 2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 79414279
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
CID 102744546
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate (CID 63634901) is methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate is CNC(CN1CCN(C)C(C)(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The InChIKey is SAPNGJZEUWBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2)9-15(7-6-14(12)4)8-10(13-3)11(16)17-5/h10,13H,6-9H2,1-5H3.
What are the key properties of methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate has a molecular weight of 243.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 63634901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).