2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid

C14H17N3O4 — CID 151306957

IUPAC2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid
SMILESCCN1CCN(C(N)(C(=O)O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H17N3O4/c1-2-16-8-9-17(12(19)11(16)18)14(15,13(20)21)10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H,20,21)
InChIKeyODPSIUFHLZTEHU-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.43
Rot. Bonds4

About 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid

2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid (PubChem CID 151306957) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid
PubChem CID151306957
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid
SMILESCCN1CCN(C(N)(C(=O)O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H17N3O4/c1-2-16-8-9-17(12(19)11(16)18)14(15,13(20)21)10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H,20,21)
InChIKeyODPSIUFHLZTEHU-UHFFFAOYSA-N
XLogP-0.43
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid (CID 151306957) is 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid is CCN1CCN(C(N)(C(=O)O)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid?
The InChIKey is ODPSIUFHLZTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-16-8-9-17(12(19)11(16)18)14(15,13(20)21)10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H,20,21).
What are the key properties of 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid?
2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid has a molecular weight of 291.31 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 151306957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).