N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C12H14N4O4 — CID 7756933

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C12H14N4O4/c1-12(6-13,7-3-4-7)14-8(17)5-16-10(19)9(18)15(2)11(16)20/h7H,3-5H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyADHXUMZZEGZJOK-LBPRGKRZSA-N
MW278.27 g/mol
LogP-0.78
Rot. Bonds4

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7756933) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7756933
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C12H14N4O4/c1-12(6-13,7-3-4-7)14-8(17)5-16-10(19)9(18)15(2)11(16)20/h7H,3-5H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyADHXUMZZEGZJOK-LBPRGKRZSA-N
XLogP-0.78
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide 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

2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 75473288
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944915
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181621
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 11923830
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95308961
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
N-(tert-butylcarbamoyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756730
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,3S)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537724
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
CID 94813038
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180255

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7756933) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is ADHXUMZZEGZJOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-12(6-13,7-3-4-7)14-8(17)5-16-10(19)9(18)15(2)11(16)20/h7H,3-5H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 278.27 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7756933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).