4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid

C15H23N3O5 — CID 129467724

IUPAC4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C15H23N3O5/c1-14(2,7-6-11(20)21)16-10(19)8-18-12(22)15(3,9-4-5-9)17-13(18)23/h9H,4-8H2,1-3H3,(H,16,19)(H,17,23)(H,20,21)/t15-/m1/s1
InChIKeyCHJYGSSJYBAAID-OAHLLOKOSA-N
MW325.37 g/mol
LogP0.47
Rot. Bonds7

About 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid

4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid (PubChem CID 129467724) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid
PubChem CID129467724
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C15H23N3O5/c1-14(2,7-6-11(20)21)16-10(19)8-18-12(22)15(3,9-4-5-9)17-13(18)23/h9H,4-8H2,1-3H3,(H,16,19)(H,17,23)(H,20,21)/t15-/m1/s1
InChIKeyCHJYGSSJYBAAID-OAHLLOKOSA-N
XLogP0.47
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119521788
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7618860
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119998026
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813431
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124733154

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid (CID 129467724) is 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O.
What is the InChIKey of 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is CHJYGSSJYBAAID-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-14(2,7-6-11(20)21)16-10(19)8-18-12(22)15(3,9-4-5-9)17-13(18)23/h9H,4-8H2,1-3H3,(H,16,19)(H,17,23)(H,20,21)/t15-/m1/s1.
What are the key properties of 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid?
4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 325.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 129467724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).