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

C13H21N3O5 — CID 43241577

IUPAC2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)O
InChIInChI=1S/C13H21N3O5/c1-7(2)5-8(10(18)19)14-9(17)6-16-11(20)13(3,4)15-12(16)21/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,21)(H,18,19)
InChIKeyWNVXRTRUCJENBC-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.07
Rot. Bonds6

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

2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 43241577) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID43241577
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)O
InChIInChI=1S/C13H21N3O5/c1-7(2)5-8(10(18)19)14-9(17)6-16-11(20)13(3,4)15-12(16)21/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,21)(H,18,19)
InChIKeyWNVXRTRUCJENBC-UHFFFAOYSA-N
XLogP-0.07
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361187
(2S)-2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 61173447
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188440
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467388
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide
CID 95159656
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103741600
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361468
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid (CID 43241577) is 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)O.
What is the InChIKey of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is WNVXRTRUCJENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-7(2)5-8(10(18)19)14-9(17)6-16-11(20)13(3,4)15-12(16)21/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,21)(H,18,19).
What are the key properties of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 43241577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).