(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid

C12H19N3O5 — CID 119369325

IUPAC(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-7(2)10(11(18)19)14-8(16)4-3-5-15-9(17)6-13-12(15)20/h7,10H,3-6H2,1-2H3,(H,13,20)(H,14,16)(H,18,19)/t10-/m1/s1
InChIKeyFIZNYLGEELZZHM-SNVBAGLBSA-N
MW285.30 g/mol
LogP-0.46
Rot. Bonds7

About (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid

(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid (PubChem CID 119369325) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid
PubChem CID119369325
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-7(2)10(11(18)19)14-8(16)4-3-5-15-9(17)6-13-12(15)20/h7,10H,3-6H2,1-2H3,(H,13,20)(H,14,16)(H,18,19)/t10-/m1/s1
InChIKeyFIZNYLGEELZZHM-SNVBAGLBSA-N
XLogP-0.46
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.46
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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119597382
N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 17458434
N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 84993401
N-(2-amino-2-ethylbutyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 119639591
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-2-[[(2S)-2-[[8-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-8-oxooctanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 100915022
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
2-[[2-[[12-[[1-[(1-carboxy-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10371775
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 51968200
2-(hexanoylamino)-3-methylbutanoic acid;pyrrole-2,5-dione
CID 174776333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid (CID 119369325) is (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)O.
What is the InChIKey of (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid?
The InChIKey is FIZNYLGEELZZHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-7(2)10(11(18)19)14-8(16)4-3-5-15-9(17)6-13-12(15)20/h7,10H,3-6H2,1-2H3,(H,13,20)(H,14,16)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid?
(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid has a molecular weight of 285.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 119369325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).