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

C5H5N2O4- — CID 6978734

IUPAC2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate
SMILESO=C([O-])C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/p-1/t2-/m0/s1
InChIKeyDQQLZADYSWBCOX-REOHCLBHSA-M
MW157.10 g/mol
LogP-2.67
Rot. Bonds2

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

2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate (PubChem CID 6978734) has the molecular formula C5H5N2O4- and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate
PubChem CID6978734
Molecular FormulaC5H5N2O4-
Molecular Weight157.10 g/mol
Exact Mass157.03
IUPAC Name2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate
SMILESO=C([O-])C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/p-1/t2-/m0/s1
InChIKeyDQQLZADYSWBCOX-REOHCLBHSA-M
XLogP-2.67
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-2.67
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 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate?
The IUPAC name of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate (CID 6978734) is 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate.
What is the SMILES notation for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate?
The canonical SMILES for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate is O=C([O-])C[C@@H]1NC(=O)NC1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate?
The InChIKey is DQQLZADYSWBCOX-REOHCLBHSA-M. The full InChI is InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/p-1/t2-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate?
2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate has a molecular weight of 157.10 g/mol, XLogP of -2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetate is sourced from PubChem (CID 6978734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).