2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid

C10H13N3O7 — CID 66074682

IUPAC2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13N3O7/c1-5-9(19)11-6(14)2-13(5)10(20)12(3-7(15)16)4-8(17)18/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H,11,14,19)
InChIKeyXKVACZUMXHSTTF-UHFFFAOYSA-N
MW287.23 g/mol
LogP-2.08
Rot. Bonds4

About 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid (PubChem CID 66074682) has the molecular formula C10H13N3O7 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
PubChem CID66074682
Molecular FormulaC10H13N3O7
Molecular Weight287.23 g/mol
Exact Mass287.08
IUPAC Name2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13N3O7/c1-5-9(19)11-6(14)2-13(5)10(20)12(3-7(15)16)4-8(17)18/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H,11,14,19)
InChIKeyXKVACZUMXHSTTF-UHFFFAOYSA-N
XLogP-2.08
TPSA144.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid (CID 66074682) is 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid is CC1C(=O)NC(=O)CN1C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is XKVACZUMXHSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O7/c1-5-9(19)11-6(14)2-13(5)10(20)12(3-7(15)16)4-8(17)18/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H,11,14,19).
What are the key properties of 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 287.23 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 66074682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).