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

C13H21N3O5 — CID 119188440

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

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

2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 119188440) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID119188440
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C13H21N3O5/c1-7(2)5-8(10(18)19)14-9(17)6-16-12(21)15-11(20)13(16,3)4/h7-8H,5-6H2,1-4H3,(H,14,17)(H,18,19)(H,15,20,21)
InChIKeyBFCMNDJXRQZFGC-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'}

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

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Related Compounds

2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119361545
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
(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
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
4-methyl-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]pentanoic acid
CID 120679225
4-methyl-2-[[2-(3-methylbutylsulfanyl)acetyl]amino]pentanoic acid
CID 119188306
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid (CID 119188440) is 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is BFCMNDJXRQZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-7(2)5-8(10(18)19)14-9(17)6-16-12(21)15-11(20)13(16,3)4/h7-8H,5-6H2,1-4H3,(H,14,17)(H,18,19)(H,15,20,21).
What are the key properties of 2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
2-[[2-(5,5-dimethyl-2,4-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-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).