2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid

C10H16N2O6 — CID 61328279

IUPAC2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
SMILESCOC(=O)N1CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C10H16N2O6/c1-17-10(16)12-4-2-11(3-5-12)8(13)6-18-7-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyAJVQGZAAXVAQBS-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.00
Rot. Bonds4

About 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 61328279) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID61328279
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
SMILESCOC(=O)N1CCN(C(=O)COCC(=O)O)CC1
InChIInChI=1S/C10H16N2O6/c1-17-10(16)12-4-2-11(3-5-12)8(13)6-18-7-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyAJVQGZAAXVAQBS-UHFFFAOYSA-N
XLogP-1.00
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]acetic acid
CID 55004213
2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethoxy]acetic acid
CID 61328087
methyl 4-(3-chloropropanoyl)piperazine-1-carboxylate
CID 61042593
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 103531253
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969
methyl 4-(2-nitroacetyl)piperazine-1-carboxylate
CID 108814585
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
CID 114408134
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid (CID 61328279) is 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid is COC(=O)N1CCN(C(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is AJVQGZAAXVAQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-17-10(16)12-4-2-11(3-5-12)8(13)6-18-7-9(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).