methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate

C11H21N3O2 — CID 66196191

IUPACmethyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c1-9(11(15)16-2)14-7-10(8-14)13-5-3-12-4-6-13/h9-10,12H,3-8H2,1-2H3
InChIKeyQTIWMIQBWKYXPC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds3

About methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate

methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate (PubChem CID 66196191) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
PubChem CID66196191
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namemethyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c1-9(11(15)16-2)14-7-10(8-14)13-5-3-12-4-6-13/h9-10,12H,3-8H2,1-2H3
InChIKeyQTIWMIQBWKYXPC-UHFFFAOYSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66196942
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66196768
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate
CID 60915542
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 154945106

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The IUPAC name of methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate (CID 66196191) is methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate is COC(=O)C(C)N1CC(N2CCNCC2)C1.
What is the InChIKey of methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The InChIKey is QTIWMIQBWKYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(11(15)16-2)14-7-10(8-14)13-5-3-12-4-6-13/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate?
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate has a molecular weight of 227.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate is sourced from PubChem (CID 66196191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).