2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid

C19H22N4O3 — CID 57155693

IUPAC2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc(N2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C19H22N4O3/c24-18(12-22-13-19(25)26)15-1-3-16(4-2-15)23-10-9-21-11-17(23)14-5-7-20-8-6-14/h1-8,17,21-22H,9-13H2,(H,25,26)
InChIKeyJZURADLRUJNILW-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.09
Rot. Bonds7

About 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid

2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid (PubChem CID 57155693) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid
PubChem CID57155693
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc(N2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C19H22N4O3/c24-18(12-22-13-19(25)26)15-1-3-16(4-2-15)23-10-9-21-11-17(23)14-5-7-20-8-6-14/h1-8,17,21-22H,9-13H2,(H,25,26)
InChIKeyJZURADLRUJNILW-UHFFFAOYSA-N
XLogP1.09
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid (CID 57155693) is 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid is O=C(O)CNCC(=O)c1ccc(N2CCNCC2c2ccncc2)cc1.
What is the InChIKey of 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid?
The InChIKey is JZURADLRUJNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(12-22-13-19(25)26)15-1-3-16(4-2-15)23-10-9-21-11-17(23)14-5-7-20-8-6-14/h1-8,17,21-22H,9-13H2,(H,25,26).
What are the key properties of 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid?
2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid has a molecular weight of 354.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]ethyl]amino]acetic acid is sourced from PubChem (CID 57155693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).