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

C8H13N3O4 — CID 43135726

IUPAC2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O4/c1-10(5-7(13)14)8(15)11-3-2-9-6(12)4-11/h2-5H2,1H3,(H,9,12)(H,13,14)
InChIKeyGQOKHZXQFSKQBN-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.45
Rot. Bonds2

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

2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid (PubChem CID 43135726) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid
PubChem CID43135726
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O4/c1-10(5-7(13)14)8(15)11-3-2-9-6(12)4-11/h2-5H2,1H3,(H,9,12)(H,13,14)
InChIKeyGQOKHZXQFSKQBN-UHFFFAOYSA-N
XLogP-1.45
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 66062995
2-[tert-butyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 79256938
4-acetylpiperazin-2-one
CID 12744517
N,N-dimethyl-2-[methyl-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]acetamide
CID 30758749
2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 65363951
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
1-(3-oxopiperazine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126262
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
3-[ethyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 65364098
3-[ethyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 65364140
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid (CID 43135726) is 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is GQOKHZXQFSKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-10(5-7(13)14)8(15)11-3-2-9-6(12)4-11/h2-5H2,1H3,(H,9,12)(H,13,14).
What are the key properties of 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid?
2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 43135726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).