methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate

C10H20N2O2 — CID 5151973

IUPACmethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-9(10(13)14-3)8-12-6-4-11(2)5-7-12/h9H,4-8H2,1-3H3
InChIKeyNEGSKFUJWKNKHR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds3

About methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate

methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate (PubChem CID 5151973) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
PubChem CID5151973
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-9(10(13)14-3)8-12-6-4-11(2)5-7-12/h9H,4-8H2,1-3H3
InChIKeyNEGSKFUJWKNKHR-UHFFFAOYSA-N
XLogP0.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate (CID 5151973) is methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate is COC(=O)C(C)CN1CCN(C)CC1.
What is the InChIKey of methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate?
The InChIKey is NEGSKFUJWKNKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(10(13)14-3)8-12-6-4-11(2)5-7-12/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate?
methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 5151973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).