3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

C12H24N4O2 — CID 107324696

IUPAC3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCN1CCN(CCN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C12H24N4O2/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(13,10-16)11(17)18/h2-10,13H2,1H3,(H,17,18)
InChIKeyQGPZTSVQZMQLTR-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.28
Rot. Bonds4

About 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324696) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324696
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCN1CCN(CCN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C12H24N4O2/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(13,10-16)11(17)18/h2-10,13H2,1H3,(H,17,18)
InChIKeyQGPZTSVQZMQLTR-UHFFFAOYSA-N
XLogP-1.28
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-(3,3-diethoxypropyl)pyrrolidine-3-carboxylic acid
CID 107324313
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324984

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 107324696) is 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is CN1CCN(CCN2CCC(N)(C(=O)O)C2)CC1.
What is the InChIKey of 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QGPZTSVQZMQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(13,10-16)11(17)18/h2-10,13H2,1H3,(H,17,18).
What are the key properties of 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).