2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate

C6H9N3O6 — CID 15227784

IUPAC2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate
SMILESO=C1N[C@H](C(=O)NCCO[N+](=O)[O-])CO1
InChIInChI=1S/C6H9N3O6/c10-5(4-3-14-6(11)8-4)7-1-2-15-9(12)13/h4H,1-3H2,(H,7,10)(H,8,11)/t4-/m0/s1
InChIKeyMWVNPEVJWHMMFV-BYPYZUCNSA-N
MW219.15 g/mol
LogP-1.58
Rot. Bonds5

About 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate

2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate (PubChem CID 15227784) has the molecular formula C6H9N3O6 and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate.

Molecular Properties

Compound Name2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate
PubChem CID15227784
Molecular FormulaC6H9N3O6
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate
SMILESO=C1N[C@H](C(=O)NCCO[N+](=O)[O-])CO1
InChIInChI=1S/C6H9N3O6/c10-5(4-3-14-6(11)8-4)7-1-2-15-9(12)13/h4H,1-3H2,(H,7,10)(H,8,11)/t4-/m0/s1
InChIKeyMWVNPEVJWHMMFV-BYPYZUCNSA-N
XLogP-1.58
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate?
The IUPAC name of 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate (CID 15227784) is 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate.
What is the SMILES notation for 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate?
The canonical SMILES for 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate is O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])CO1.
What is the InChIKey of 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate?
The InChIKey is MWVNPEVJWHMMFV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O6/c10-5(4-3-14-6(11)8-4)7-1-2-15-9(12)13/h4H,1-3H2,(H,7,10)(H,8,11)/t4-/m0/s1.
What are the key properties of 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate?
2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate has a molecular weight of 219.15 g/mol, XLogP of -1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]ethyl nitrate is sourced from PubChem (CID 15227784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).