2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid

C10H19N3O3 — CID 82041147

IUPAC2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
SMILESCCN1CCN(CC(=O)NCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-2-12-3-5-13(6-4-12)8-9(14)11-7-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyAUSHHGUUJPVEMU-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.18
Rot. Bonds5

About 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid

2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid (PubChem CID 82041147) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
PubChem CID82041147
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
SMILESCCN1CCN(CC(=O)NCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-2-12-3-5-13(6-4-12)8-9(14)11-7-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyAUSHHGUUJPVEMU-UHFFFAOYSA-N
XLogP-1.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid;ethane
CID 142357822
2-[4-(carboxymethyl)-10-ethyl-7-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632161
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
2-[4,7-bis(carboxymethyl)-10-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118499456
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688
2-[7-[2-[[6-(butylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639687
2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120828236
2-[[2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-10-[2-(carboxymethylamino)-2-oxoethyl]-7-[2-(methylperoxymethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 89148034
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[4-ethyl-7-methyl-10-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122577878

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid (CID 82041147) is 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid is CCN1CCN(CC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid?
The InChIKey is AUSHHGUUJPVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-12-3-5-13(6-4-12)8-9(14)11-7-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid?
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82041147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).