2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid

C10H19N3O4 — CID 79457584

IUPAC2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CN1CCNCC1
InChIInChI=1S/C10H19N3O4/c14-9(7-13-4-1-11-2-5-13)12-3-6-17-8-10(15)16/h11H,1-8H2,(H,12,14)(H,15,16)
InChIKeyBXWDARWSDIOCPC-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.89
Rot. Bonds7

About 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid

2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid (PubChem CID 79457584) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
PubChem CID79457584
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CN1CCNCC1
InChIInChI=1S/C10H19N3O4/c14-9(7-13-4-1-11-2-5-13)12-3-6-17-8-10(15)16/h11H,1-8H2,(H,12,14)(H,15,16)
InChIKeyBXWDARWSDIOCPC-UHFFFAOYSA-N
XLogP-1.89
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856
2-[4-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 155906794
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170919579
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79457797
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177276720
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 162505425
trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
CID 11724349
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
CID 162505424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid (CID 79457584) is 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CN1CCNCC1.
What is the InChIKey of 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid?
The InChIKey is BXWDARWSDIOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-9(7-13-4-1-11-2-5-13)12-3-6-17-8-10(15)16/h11H,1-8H2,(H,12,14)(H,15,16).
What are the key properties of 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid?
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).