5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid

C10H16N4O5 — CID 107435545

IUPAC5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CNC(=O)CN1)C(=O)O
InChIInChI=1S/C10H16N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h5-6,12H,1-4H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19)
InChIKeyURYZBOOGFMRHHY-UHFFFAOYSA-N
MW272.26 g/mol
LogP-3.09
Rot. Bonds6

About 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid

5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid (PubChem CID 107435545) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
PubChem CID107435545
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CNC(=O)CN1)C(=O)O
InChIInChI=1S/C10H16N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h5-6,12H,1-4H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19)
InChIKeyURYZBOOGFMRHHY-UHFFFAOYSA-N
XLogP-3.09
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-3.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 53390036
5-amino-2-[[5-amino-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid
CID 75097643
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxopiperazine-2-carbonyl)amino]propanoic acid
CID 107435629
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 153287183

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid (CID 107435545) is 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid is NC(=O)CCC(NC(=O)C1CNC(=O)CN1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
The InChIKey is URYZBOOGFMRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h5-6,12H,1-4H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19).
What are the key properties of 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid?
5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid has a molecular weight of 272.26 g/mol, XLogP of -3.09, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107435545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).