methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate

C7H10N2O5 — CID 50906090

IUPACmethyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@@H]1NC(=O)N(O)C1=O
InChIInChI=1S/C7H10N2O5/c1-14-5(10)3-2-4-6(11)9(13)7(12)8-4/h4,13H,2-3H2,1H3,(H,8,12)/t4-/m0/s1
InChIKeyPXOLAICAJGOVRW-BYPYZUCNSA-N
MW202.17 g/mol
LogP-0.75
Rot. Bonds3

About methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate

methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 50906090) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID50906090
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Namemethyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@@H]1NC(=O)N(O)C1=O
InChIInChI=1S/C7H10N2O5/c1-14-5(10)3-2-4-6(11)9(13)7(12)8-4/h4,13H,2-3H2,1H3,(H,8,12)/t4-/m0/s1
InChIKeyPXOLAICAJGOVRW-BYPYZUCNSA-N
XLogP-0.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate (CID 50906090) is methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate is COC(=O)CC[C@@H]1NC(=O)N(O)C1=O.
What is the InChIKey of methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is PXOLAICAJGOVRW-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-14-5(10)3-2-4-6(11)9(13)7(12)8-4/h4,13H,2-3H2,1H3,(H,8,12)/t4-/m0/s1.
What are the key properties of methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate?
methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 202.17 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 50906090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).