2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid

C8H12N2O5 — CID 11106762

IUPAC2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C8H12N2O5/c11-6-3-9(4-7(12)13)1-2-10(6)5-8(14)15/h1-5H2,(H,12,13)(H,14,15)
InChIKeyFCXSSZUUTJINKK-UHFFFAOYSA-N
MW216.19 g/mol
LogP-1.70
Rot. Bonds4

About 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid

2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid (PubChem CID 11106762) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid
PubChem CID11106762
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C8H12N2O5/c11-6-3-9(4-7(12)13)1-2-10(6)5-8(14)15/h1-5H2,(H,12,13)(H,14,15)
InChIKeyFCXSSZUUTJINKK-UHFFFAOYSA-N
XLogP-1.70
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid (CID 11106762) is 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC(=O)O)C(=O)C1.
What is the InChIKey of 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid?
The InChIKey is FCXSSZUUTJINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-6-3-9(4-7(12)13)1-2-10(6)5-8(14)15/h1-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid?
2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid has a molecular weight of 216.19 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)-3-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 11106762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).