(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid

C10H15N3O6 — CID 107834366

IUPAC(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid
SMILESCN1CC(=O)N(CC(=O)NCC[C@H](O)C(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-12-5-8(16)13(10(12)19)4-7(15)11-3-2-6(14)9(17)18/h6,14H,2-5H2,1H3,(H,11,15)(H,17,18)/t6-/m0/s1
InChIKeyAQEKGWIKEVUXJF-LURJTMIESA-N
MW273.25 g/mol
LogP-2.17
Rot. Bonds6

About (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 107834366) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid
PubChem CID107834366
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid
SMILESCN1CC(=O)N(CC(=O)NCC[C@H](O)C(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-12-5-8(16)13(10(12)19)4-7(15)11-3-2-6(14)9(17)18/h6,14H,2-5H2,1H3,(H,11,15)(H,17,18)/t6-/m0/s1
InChIKeyAQEKGWIKEVUXJF-LURJTMIESA-N
XLogP-2.17
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid (CID 107834366) is (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid is CN1CC(=O)N(CC(=O)NCC[C@H](O)C(=O)O)C1=O.
What is the InChIKey of (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is AQEKGWIKEVUXJF-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O6/c1-12-5-8(16)13(10(12)19)4-7(15)11-3-2-6(14)9(17)18/h6,14H,2-5H2,1H3,(H,11,15)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 273.25 g/mol, XLogP of -2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107834366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).