2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

C16H22N2O4 — CID 17379056

IUPAC2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCc1cccc(N2CCN(C(=O)COCC(=O)O)CC2)c1C
InChIInChI=1S/C16H22N2O4/c1-12-4-3-5-14(13(12)2)17-6-8-18(9-7-17)15(19)10-22-11-16(20)21/h3-5H,6-11H2,1-2H3,(H,20,21)
InChIKeyBKJVUMNGGDZVOP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.05
Rot. Bonds5

About 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 17379056) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID17379056
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESCc1cccc(N2CCN(C(=O)COCC(=O)O)CC2)c1C
InChIInChI=1S/C16H22N2O4/c1-12-4-3-5-14(13(12)2)17-6-8-18(9-7-17)15(19)10-22-11-16(20)21/h3-5H,6-11H2,1-2H3,(H,20,21)
InChIKeyBKJVUMNGGDZVOP-UHFFFAOYSA-N
XLogP1.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 17379056) is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is Cc1cccc(N2CCN(C(=O)COCC(=O)O)CC2)c1C.
What is the InChIKey of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is BKJVUMNGGDZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12-4-3-5-14(13(12)2)17-6-8-18(9-7-17)15(19)10-22-11-16(20)21/h3-5H,6-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 306.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 17379056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).