2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

C11H17N3O5 — CID 66074486

IUPAC2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyDESVYDFYAGOTAA-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.75
Rot. Bonds3

About 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 66074486) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID66074486
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyDESVYDFYAGOTAA-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.75
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

2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
CID 66074682
4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid
CID 66073515
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(3-methyl-2-sulfanylbutanoyl)piperazine-2,6-dione
CID 107031724
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
3-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069320
5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid
CID 66076418
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076005
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 66062486
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 66074486) is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is DESVYDFYAGOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-6(2)13(5-9(16)17)11(19)14-4-8(15)12-10(18)7(14)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,12,15,18).
What are the key properties of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66074486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).