methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate

C11H21N3O3 — CID 54874509

IUPACmethyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate
SMILESCCC(N)C(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-9(12)11(16)14-6-4-13(5-7-14)8-10(15)17-2/h9H,3-8,12H2,1-2H3
InChIKeyZVTYDLNSEPTHQI-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.96
Rot. Bonds4

About methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate

methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate (PubChem CID 54874509) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate
PubChem CID54874509
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate
SMILESCCC(N)C(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-9(12)11(16)14-6-4-13(5-7-14)8-10(15)17-2/h9H,3-8,12H2,1-2H3
InChIKeyZVTYDLNSEPTHQI-UHFFFAOYSA-N
XLogP-0.96
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
methyl 2-[4-(2-amino-5-methoxypentanoyl)piperazin-1-yl]acetate
CID 81088055
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
2-amino-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 60962945
methyl 2-(4-butanoylpiperazin-1-yl)acetate
CID 61238524
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate (CID 54874509) is methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate is CCC(N)C(=O)N1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate?
The InChIKey is ZVTYDLNSEPTHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-9(12)11(16)14-6-4-13(5-7-14)8-10(15)17-2/h9H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate?
methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate has a molecular weight of 243.31 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 54874509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).