2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid

C8H10N2O6 — CID 23510852

IUPAC2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(CC(=O)O)CC1=O
InChIInChI=1S/C8H10N2O6/c11-5-1-9(3-7(13)14)6(12)2-10(5)4-8(15)16/h1-4H2,(H,13,14)(H,15,16)
InChIKeyVRDOHMYPSMRJQK-UHFFFAOYSA-N
MW230.18 g/mol
LogP-2.17
Rot. Bonds4

About 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid

2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid (PubChem CID 23510852) has the molecular formula C8H10N2O6 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid
PubChem CID23510852
Molecular FormulaC8H10N2O6
Molecular Weight230.18 g/mol
Exact Mass230.05
IUPAC Name2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(CC(=O)O)CC1=O
InChIInChI=1S/C8H10N2O6/c11-5-1-9(3-7(13)14)6(12)2-10(5)4-8(15)16/h1-4H2,(H,13,14)(H,15,16)
InChIKeyVRDOHMYPSMRJQK-UHFFFAOYSA-N
XLogP-2.17
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid (CID 23510852) is 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid is O=C(O)CN1CC(=O)N(CC(=O)O)CC1=O.
What is the InChIKey of 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The InChIKey is VRDOHMYPSMRJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6/c11-5-1-9(3-7(13)14)6(12)2-10(5)4-8(15)16/h1-4H2,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid?
2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid has a molecular weight of 230.18 g/mol, XLogP of -2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)-2,5-dioxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 23510852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).