4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione

C8H13N3O3 — CID 66069530

IUPAC4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CN
InChIInChI=1S/C8H13N3O3/c1-2-5-8(14)10-6(12)4-11(5)7(13)3-9/h5H,2-4,9H2,1H3,(H,10,12,14)
InChIKeyFANLNIKAQSLFID-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.79
Rot. Bonds2

About 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione

4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069530) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069530
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CN
InChIInChI=1S/C8H13N3O3/c1-2-5-8(14)10-6(12)4-11(5)7(13)3-9/h5H,2-4,9H2,1H3,(H,10,12,14)
InChIKeyFANLNIKAQSLFID-UHFFFAOYSA-N
XLogP-1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.79
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-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067412
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66069435
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
CID 66069309
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
4-[2-(4-bromophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067758

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione (CID 66069530) is 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CN.
What is the InChIKey of 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is FANLNIKAQSLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-5-8(14)10-6(12)4-11(5)7(13)3-9/h5H,2-4,9H2,1H3,(H,10,12,14).
What are the key properties of 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione?
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 199.21 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).