N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

C10H16N4O4 — CID 57028272

IUPACN-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(=O)[C@H](C)N)C(=O)C1=O
InChIInChI=1S/C10H16N4O4/c1-3-13-4-5-14(9(17)8(13)16)10(18)12-7(15)6(2)11/h6H,3-5,11H2,1-2H3,(H,12,15,18)/t6-/m0/s1
InChIKeyDHJHFAUBDLMKJI-LURJTMIESA-N
MW256.26 g/mol
LogP-1.74
Rot. Bonds2

About N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (PubChem CID 57028272) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
PubChem CID57028272
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(=O)[C@H](C)N)C(=O)C1=O
InChIInChI=1S/C10H16N4O4/c1-3-13-4-5-14(9(17)8(13)16)10(18)12-7(15)6(2)11/h6H,3-5,11H2,1-2H3,(H,12,15,18)/t6-/m0/s1
InChIKeyDHJHFAUBDLMKJI-LURJTMIESA-N
XLogP-1.74
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (CID 57028272) is N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NC(=O)[C@H](C)N)C(=O)C1=O.
What is the InChIKey of N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is DHJHFAUBDLMKJI-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-13-4-5-14(9(17)8(13)16)10(18)12-7(15)6(2)11/h6H,3-5,11H2,1-2H3,(H,12,15,18)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-aminopropanoyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 57028272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).