2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid

C10H15N3O6 — CID 64693480

IUPAC2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
SMILESCN1CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1=O
InChIInChI=1S/C10H15N3O6/c1-11-2-3-12(4-7(11)14)10(19)13(5-8(15)16)6-9(17)18/h2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFJIPQOADGSSCHS-UHFFFAOYSA-N
MW273.24 g/mol
LogP-1.65
Rot. Bonds4

About 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid (PubChem CID 64693480) has the molecular formula C10H15N3O6 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
PubChem CID64693480
Molecular FormulaC10H15N3O6
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
SMILESCN1CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1=O
InChIInChI=1S/C10H15N3O6/c1-11-2-3-12(4-7(11)14)10(19)13(5-8(15)16)6-9(17)18/h2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFJIPQOADGSSCHS-UHFFFAOYSA-N
XLogP-1.65
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid (CID 64693480) is 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid is CN1CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1=O.
What is the InChIKey of 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is FJIPQOADGSSCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-11-2-3-12(4-7(11)14)10(19)13(5-8(15)16)6-9(17)18/h2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 273.24 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 64693480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).