7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

C8H13N3O3 — CID 82397919

IUPAC7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(CN)N1C(=O)NC2(COC2)C1=O
InChIInChI=1S/C8H13N3O3/c1-5(2-9)11-6(12)8(3-14-4-8)10-7(11)13/h5H,2-4,9H2,1H3,(H,10,13)
InChIKeyXCWBYLZGZDSXQP-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.35
Rot. Bonds2

About 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione

7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 82397919) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID82397919
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(CN)N1C(=O)NC2(COC2)C1=O
InChIInChI=1S/C8H13N3O3/c1-5(2-9)11-6(12)8(3-14-4-8)10-7(11)13/h5H,2-4,9H2,1H3,(H,10,13)
InChIKeyXCWBYLZGZDSXQP-UHFFFAOYSA-N
XLogP-1.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.35
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 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione (CID 82397919) is 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is CC(CN)N1C(=O)NC2(COC2)C1=O.
What is the InChIKey of 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is XCWBYLZGZDSXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(2-9)11-6(12)8(3-14-4-8)10-7(11)13/h5H,2-4,9H2,1H3,(H,10,13).
What are the key properties of 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione?
7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 199.21 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 82397919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).