2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid

C10H17N3O4 — CID 55217318

IUPAC2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-7-9(16)11-4-5-13(7)10(17)12(2)6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyKSFXRERSSHIFMT-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.67
Rot. Bonds3

About 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid

2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid (PubChem CID 55217318) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
PubChem CID55217318
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-7-9(16)11-4-5-13(7)10(17)12(2)6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyKSFXRERSSHIFMT-UHFFFAOYSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid (CID 55217318) is 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid is CCC1C(=O)NCCN1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is KSFXRERSSHIFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-7-9(16)11-4-5-13(7)10(17)12(2)6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid?
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 55217318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).