5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid

C11H16N4O5 — CID 107438696

IUPAC5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CCN1
InChIInChI=1S/C11H16N4O5/c16-8-1-3-14(4-2-12-8)11(20)15-6-9(17)13-5-7(15)10(18)19/h7H,1-6H2,(H,12,16)(H,13,17)(H,18,19)
InChIKeyUNZUNPXBZXZPRU-UHFFFAOYSA-N
MW284.27 g/mol
LogP-2.19
Rot. Bonds1

About 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid

5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid (PubChem CID 107438696) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
PubChem CID107438696
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CCN1
InChIInChI=1S/C11H16N4O5/c16-8-1-3-14(4-2-12-8)11(20)15-6-9(17)13-5-7(15)10(18)19/h7H,1-6H2,(H,12,16)(H,13,17)(H,18,19)
InChIKeyUNZUNPXBZXZPRU-UHFFFAOYSA-N
XLogP-2.19
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438116
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107438597
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107439498
1-(5-oxo-1,4-diazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 63002706
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107439443
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438360
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445369
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439148
1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432800

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid (CID 107438696) is 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid is O=C1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CCN1.
What is the InChIKey of 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is UNZUNPXBZXZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-8-1-3-14(4-2-12-8)11(20)15-6-9(17)13-5-7(15)10(18)19/h7H,1-6H2,(H,12,16)(H,13,17)(H,18,19).
What are the key properties of 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid?
5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107438696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).