2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid

C12H23N3O3 — CID 61191959

IUPAC2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H23N3O3/c1-3-5-15(10-11(16)17)12(18)14-8-6-13(4-2)7-9-14/h3-10H2,1-2H3,(H,16,17)
InChIKeyJGEJGMYRLWGTNA-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.54
Rot. Bonds5

About 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid

2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid (PubChem CID 61191959) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
PubChem CID61191959
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H23N3O3/c1-3-5-15(10-11(16)17)12(18)14-8-6-13(4-2)7-9-14/h3-10H2,1-2H3,(H,16,17)
InChIKeyJGEJGMYRLWGTNA-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
CID 63161983
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108960910
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid (CID 61191959) is 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N1CCN(CC)CC1.
What is the InChIKey of 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid?
The InChIKey is JGEJGMYRLWGTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-5-15(10-11(16)17)12(18)14-8-6-13(4-2)7-9-14/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid?
2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61191959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).