(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

C14H14N2O4 — CID 166775737

IUPAC(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCC(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O
InChIInChI=1S/C14H14N2O4/c1-8(17)7-16-12(18)14(20-13(16)19)5-4-9-6-10(15)2-3-11(9)14/h2-3,6H,4-5,7,15H2,1H3/t14-/m1/s1
InChIKeyLHVZMVRQOUHYOX-CQSZACIVSA-N
MW274.28 g/mol
LogP0.98
Rot. Bonds2

About (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (PubChem CID 166775737) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
PubChem CID166775737
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESCC(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O
InChIInChI=1S/C14H14N2O4/c1-8(17)7-16-12(18)14(20-13(16)19)5-4-9-6-10(15)2-3-11(9)14/h2-3,6H,4-5,7,15H2,1H3/t14-/m1/s1
InChIKeyLHVZMVRQOUHYOX-CQSZACIVSA-N
XLogP0.98
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The IUPAC name of (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (CID 166775737) is (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The canonical SMILES for (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is CC(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O.
What is the InChIKey of (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The InChIKey is LHVZMVRQOUHYOX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(17)7-16-12(18)14(20-13(16)19)5-4-9-6-10(15)2-3-11(9)14/h2-3,6H,4-5,7,15H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
(3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione has a molecular weight of 274.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-amino-3'-(2-oxopropyl)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is sourced from PubChem (CID 166775737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).