methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate

C10H20N2O2 — CID 135240223

IUPACmethyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(C)C[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-8-7-11(3)5-6-12(8)9(2)10(13)14-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyOVEVPPGNENEXDJ-VEDVMXKPSA-N
MW200.28 g/mol
LogP0.18
Rot. Bonds2

About methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate

methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate (PubChem CID 135240223) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
PubChem CID135240223
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(C)C[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-8-7-11(3)5-6-12(8)9(2)10(13)14-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyOVEVPPGNENEXDJ-VEDVMXKPSA-N
XLogP0.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 114086942
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
CID 130595097
1-(1-ethoxyethyl)-2,4-dimethylpiperazine
CID 174323904
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid
CID 83978717
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate
CID 115648490
6-[2-(2-methylaziridin-1-yl)propanoyloxy]hexyl 2-(2-methylaziridin-1-yl)propanoate
CID 140998578
(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide
CID 124731554
(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate (CID 135240223) is methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate is COC(=O)C(C)N1CCN(C)C[C@H]1C.
What is the InChIKey of methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate?
The InChIKey is OVEVPPGNENEXDJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-7-11(3)5-6-12(8)9(2)10(13)14-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate?
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate is sourced from PubChem (CID 135240223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).