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

C12H17N3O5 — CID 64814335

IUPAC2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)NC2CCCC2C(=O)O)C1=O
InChIInChI=1S/C12H17N3O5/c1-14-6-10(17)15(12(14)20)5-9(16)13-8-4-2-3-7(8)11(18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,18,19)
InChIKeyAABAEGBJXMBUKQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.75
Rot. Bonds4

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

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64814335) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64814335
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)NC2CCCC2C(=O)O)C1=O
InChIInChI=1S/C12H17N3O5/c1-14-6-10(17)15(12(14)20)5-9(16)13-8-4-2-3-7(8)11(18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,18,19)
InChIKeyAABAEGBJXMBUKQ-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119610019
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 62518811
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
cis-methyl (1R,2S)-2-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]cyclopentane-1-carboxylate
CID 99774436
N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 133116759
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813049
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355855

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64814335) is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is CN1CC(=O)N(CC(=O)NC2CCCC2C(=O)O)C1=O.
What is the InChIKey of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AABAEGBJXMBUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-14-6-10(17)15(12(14)20)5-9(16)13-8-4-2-3-7(8)11(18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).