4-(2-aminopropanoyl)piperazine-2,6-dione

C7H11N3O3 — CID 66084211

IUPAC4-(2-aminopropanoyl)piperazine-2,6-dione
SMILESCC(N)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O3/c1-4(8)7(13)10-2-5(11)9-6(12)3-10/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyHHRMZYPIUNRQBY-UHFFFAOYSA-N
MW185.18 g/mol
LogP-2.18
Rot. Bonds1

About 4-(2-aminopropanoyl)piperazine-2,6-dione

4-(2-aminopropanoyl)piperazine-2,6-dione (PubChem CID 66084211) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(2-aminopropanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-aminopropanoyl)piperazine-2,6-dione
PubChem CID66084211
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(2-aminopropanoyl)piperazine-2,6-dione
SMILESCC(N)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O3/c1-4(8)7(13)10-2-5(11)9-6(12)3-10/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyHHRMZYPIUNRQBY-UHFFFAOYSA-N
XLogP-2.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione
CID 107569988
4-(2-ethylbutanoyl)piperazine-2,6-dione
CID 66084705
4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
CID 106113080
(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
CID 97175419
(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962109
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
4-[2-(3-aminophenyl)propanoyl]piperazine-2,6-dione
CID 106591581
1-[(2S)-2-aminopropanoyl]piperidin-3-one
CID 66564387
5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905722
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-aminopropanoyl)piperazine-2,6-dione (CID 66084211) is 4-(2-aminopropanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-aminopropanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-aminopropanoyl)piperazine-2,6-dione is CC(N)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-aminopropanoyl)piperazine-2,6-dione?
The InChIKey is HHRMZYPIUNRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(8)7(13)10-2-5(11)9-6(12)3-10/h4H,2-3,8H2,1H3,(H,9,11,12).
What are the key properties of 4-(2-aminopropanoyl)piperazine-2,6-dione?
4-(2-aminopropanoyl)piperazine-2,6-dione has a molecular weight of 185.18 g/mol, XLogP of -2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).