methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate

C10H20N2O2 — CID 82760949

IUPACmethyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)C(C)CN1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-3)7-12-5-4-11-6-9(12)2/h8-9,11H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyAAGIJOMZYAGLPT-YGPZHTELSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate

methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate (PubChem CID 82760949) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
PubChem CID82760949
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)C(C)CN1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-3)7-12-5-4-11-6-9(12)2/h8-9,11H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyAAGIJOMZYAGLPT-YGPZHTELSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate
CID 82756025
ethyl 2-(2-methylpiperazin-1-yl)acetate
CID 62672980
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402
methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
CID 120837084
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
methyl 3-methyl-2-[methyl-[(2R)-2-methylpiperazine-1-carbonyl]amino]butanoate
CID 170064721
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 62331651
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate (CID 82760949) is methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate is COC(=O)C(C)CN1CCNC[C@H]1C.
What is the InChIKey of methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate?
The InChIKey is AAGIJOMZYAGLPT-YGPZHTELSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(10(13)14-3)7-12-5-4-11-6-9(12)2/h8-9,11H,4-7H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate?
methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate is sourced from PubChem (CID 82760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).