2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid

C11H17N3O6 — CID 81077582

IUPAC2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CN1C(=O)CNC1=O)C(=O)O
InChIInChI=1S/C11H17N3O6/c1-20-4-2-3-7(10(17)18)13-8(15)6-14-9(16)5-12-11(14)19/h7H,2-6H2,1H3,(H,12,19)(H,13,15)(H,17,18)
InChIKeyTWMZATLWXRIEDC-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.47
Rot. Bonds8

About 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid

2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid (PubChem CID 81077582) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid
PubChem CID81077582
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CN1C(=O)CNC1=O)C(=O)O
InChIInChI=1S/C11H17N3O6/c1-20-4-2-3-7(10(17)18)13-8(15)6-14-9(16)5-12-11(14)19/h7H,2-6H2,1H3,(H,12,19)(H,13,15)(H,17,18)
InChIKeyTWMZATLWXRIEDC-UHFFFAOYSA-N
XLogP-1.47
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357583
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
5-methoxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 81077244
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid (CID 81077582) is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)CN1C(=O)CNC1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid?
The InChIKey is TWMZATLWXRIEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-20-4-2-3-7(10(17)18)13-8(15)6-14-9(16)5-12-11(14)19/h7H,2-6H2,1H3,(H,12,19)(H,13,15)(H,17,18).
What are the key properties of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid?
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid has a molecular weight of 287.27 g/mol, XLogP of -1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81077582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).