3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate

C6H7N2O4- — CID 6926311

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESO=C([O-])CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/p-1/t3-/m0/s1
InChIKeyVWFWNXQAMGDPGG-VKHMYHEASA-M
MW171.13 g/mol
LogP-2.28
Rot. Bonds3

About 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate

3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 6926311) has the molecular formula C6H7N2O4- and a molecular weight of 171.13 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID6926311
Molecular FormulaC6H7N2O4-
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESO=C([O-])CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/p-1/t3-/m0/s1
InChIKeyVWFWNXQAMGDPGG-VKHMYHEASA-M
XLogP-2.28
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate (CID 6926311) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate is O=C([O-])CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is VWFWNXQAMGDPGG-VKHMYHEASA-M. The full InChI is InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/p-1/t3-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 171.13 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 6926311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).