3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane

C8H14N2O4 — CID 145414358

IUPAC3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane
SMILESCC.O=C(O)CC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4.C2H6/c9-4(10)2-1-3-5(11)8-6(12)7-3;1-2/h3H,1-2H2,(H,9,10)(H2,7,8,11,12);1-2H3/t3-;/m1./s1
InChIKeyIFQWZLJNZZAIGM-AENDTGMFSA-N
MW202.21 g/mol
LogP0.09
Rot. Bonds3

About 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane

3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane (PubChem CID 145414358) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane
PubChem CID145414358
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane
SMILESCC.O=C(O)CC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4.C2H6/c9-4(10)2-1-3-5(11)8-6(12)7-3;1-2/h3H,1-2H2,(H,9,10)(H2,7,8,11,12);1-2H3/t3-;/m1./s1
InChIKeyIFQWZLJNZZAIGM-AENDTGMFSA-N
XLogP0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane?
The IUPAC name of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane (CID 145414358) is 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane.
What is the SMILES notation for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane?
The canonical SMILES for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane is CC.O=C(O)CC[C@H]1NC(=O)NC1=O.
What is the InChIKey of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane?
The InChIKey is IFQWZLJNZZAIGM-AENDTGMFSA-N. The full InChI is InChI=1S/C6H8N2O4.C2H6/c9-4(10)2-1-3-5(11)8-6(12)7-3;1-2/h3H,1-2H2,(H,9,10)(H2,7,8,11,12);1-2H3/t3-;/m1./s1.
What are the key properties of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane?
3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane has a molecular weight of 202.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoic acid;ethane is sourced from PubChem (CID 145414358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).