2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid

C11H23N3O2 — CID 82892104

IUPAC2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
SMILESCN1CCN(CCNC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2,10(15)16)12-4-5-14-8-6-13(3)7-9-14/h12H,4-9H2,1-3H3,(H,15,16)
InChIKeyQILADRFJOVISLH-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds5

About 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid

2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid (PubChem CID 82892104) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
PubChem CID82892104
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
SMILESCN1CCN(CCNC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2,10(15)16)12-4-5-14-8-6-13(3)7-9-14/h12H,4-9H2,1-3H3,(H,15,16)
InChIKeyQILADRFJOVISLH-UHFFFAOYSA-N
XLogP-0.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
CID 62993597
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid (CID 82892104) is 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid is CN1CCN(CCNC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid?
The InChIKey is QILADRFJOVISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,10(15)16)12-4-5-14-8-6-13(3)7-9-14/h12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid?
2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 82892104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).