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

C10H19N3O3 — CID 60953142

IUPACmethyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C10H19N3O3/c1-8(11)10(15)13-5-3-12(4-6-13)7-9(14)16-2/h8H,3-7,11H2,1-2H3
InChIKeyCRBGLHQXLJKGJM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.35
Rot. Bonds3

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

methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate (PubChem CID 60953142) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
PubChem CID60953142
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namemethyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C10H19N3O3/c1-8(11)10(15)13-5-3-12(4-6-13)7-9(14)16-2/h8H,3-7,11H2,1-2H3
InChIKeyCRBGLHQXLJKGJM-UHFFFAOYSA-N
XLogP-1.35
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
CID 1501855
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
CID 2756818
1-tert-Butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate
CID 6558432
1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CID 7009916
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CID 7016513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate (CID 60953142) is methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)C(C)N)CC1.
What is the InChIKey of methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate?
The InChIKey is CRBGLHQXLJKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8(11)10(15)13-5-3-12(4-6-13)7-9(14)16-2/h8H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate?
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate has a molecular weight of 229.28 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60953142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).