3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide

C6H8N2O4 — CID 44593841

IUPAC3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
SMILESNC(=O)CC[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C6H8N2O4/c7-4(9)2-1-3-5(10)12-6(11)8-3/h3H,1-2H2,(H2,7,9)(H,8,11)/t3-/m0/s1
InChIKeyUBAGQWVWTSZVDI-VKHMYHEASA-N
MW172.14 g/mol
LogP-1.11
Rot. Bonds3

About 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide

3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide (PubChem CID 44593841) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
PubChem CID44593841
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
SMILESNC(=O)CC[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C6H8N2O4/c7-4(9)2-1-3-5(10)12-6(11)8-3/h3H,1-2H2,(H2,7,9)(H,8,11)/t3-/m0/s1
InChIKeyUBAGQWVWTSZVDI-VKHMYHEASA-N
XLogP-1.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide (CID 44593841) is 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide is NC(=O)CC[C@@H]1NC(=O)OC1=O.
What is the InChIKey of 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide?
The InChIKey is UBAGQWVWTSZVDI-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8N2O4/c7-4(9)2-1-3-5(10)12-6(11)8-3/h3H,1-2H2,(H2,7,9)(H,8,11)/t3-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide?
3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide has a molecular weight of 172.14 g/mol, XLogP of -1.11, 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-dioxo-1,3-oxazolidin-4-yl]propanamide is sourced from PubChem (CID 44593841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).