1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid

C12H17N3O5 — CID 43355855

IUPAC1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)N2CCCC(C(=O)O)C2)C1=O
InChIInChI=1S/C12H17N3O5/c1-13-6-10(17)15(12(13)20)7-9(16)14-4-2-3-8(5-14)11(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyORPICNTWGUESHZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.80
Rot. Bonds3

About 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43355855) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43355855
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)N2CCCC(C(=O)O)C2)C1=O
InChIInChI=1S/C12H17N3O5/c1-13-6-10(17)15(12(13)20)7-9(16)14-4-2-3-8(5-14)11(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyORPICNTWGUESHZ-UHFFFAOYSA-N
XLogP-0.80
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 112779002
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022365
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 66260935
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 112778988
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 43355855) is 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid is CN1CC(=O)N(CC(=O)N2CCCC(C(=O)O)C2)C1=O.
What is the InChIKey of 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ORPICNTWGUESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-13-6-10(17)15(12(13)20)7-9(16)14-4-2-3-8(5-14)11(18)19/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).