6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid

C12H19N3O5 — CID 66062218

IUPAC6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CC(=O)NC(=O)C1)CCC(=O)O
InChIInChI=1S/C12H19N3O5/c1-8(2-3-11(18)19)4-5-13-12(20)15-6-9(16)14-10(17)7-15/h8H,2-7H2,1H3,(H,13,20)(H,18,19)(H,14,16,17)
InChIKeyUIXXCWSZVNEQLA-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.45
Rot. Bonds6

About 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid

6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid (PubChem CID 66062218) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid
PubChem CID66062218
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CC(=O)NC(=O)C1)CCC(=O)O
InChIInChI=1S/C12H19N3O5/c1-8(2-3-11(18)19)4-5-13-12(20)15-6-9(16)14-10(17)7-15/h8H,2-7H2,1H3,(H,13,20)(H,18,19)(H,14,16,17)
InChIKeyUIXXCWSZVNEQLA-UHFFFAOYSA-N
XLogP-0.45
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid
CID 81196870
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107840352
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
CID 79853883

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid (CID 66062218) is 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid is CC(CCNC(=O)N1CC(=O)NC(=O)C1)CCC(=O)O.
What is the InChIKey of 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid?
The InChIKey is UIXXCWSZVNEQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8(2-3-11(18)19)4-5-13-12(20)15-6-9(16)14-10(17)7-15/h8H,2-7H2,1H3,(H,13,20)(H,18,19)(H,14,16,17).
What are the key properties of 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid?
6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid has a molecular weight of 285.30 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 66062218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).