(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

C13H20N2O7 — CID 10980008

IUPAC(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
SMILESCN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)OC1=O
InChIInChI=1S/C13H20N2O7/c1-12(2)20-7-5-19-13(9(16)8(7)21-12)6-15(11(18)22-13)10(17)14(3)4/h7-9,16H,5-6H2,1-4H3/t7-,8-,9+,13+/m1/s1
InChIKeyILEROGWQROCSCW-SKNMHBRKSA-N
MW316.31 g/mol
LogP-0.27
Rot. Bonds

About (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (PubChem CID 10980008) has the molecular formula C13H20N2O7 and a molecular weight of 316.31 g/mol. Its IUPAC name is (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.

Molecular Properties

Compound Name(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
PubChem CID10980008
Molecular FormulaC13H20N2O7
Molecular Weight316.31 g/mol
Exact Mass316.13
IUPAC Name(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
SMILESCN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)OC1=O
InChIInChI=1S/C13H20N2O7/c1-12(2)20-7-5-19-13(9(16)8(7)21-12)6-15(11(18)22-13)10(17)14(3)4/h7-9,16H,5-6H2,1-4H3/t7-,8-,9+,13+/m1/s1
InChIKeyILEROGWQROCSCW-SKNMHBRKSA-N
XLogP-0.27
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide with MolForge

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Related Compounds

tert-butyl (3'aR,4S,7'S)-7'-hydroxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766038
(3'aR,4S,7'S)-7'-hydroxy-2,2,3'-trimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766062
tert-butyl (3'aR,5S,7'S,7'aS)-7'-hydroxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 10892475
(3'aR,5S,7'S,7'aS)-7'-hydroxy-2',2',3-trimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 10945140
(3'aR,5S,7'S,7'aS)-3-(2,2-dimethylpropanoyl)-7'-hydroxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 11002005
(3'aR,5S,7'S,7'aS)-3-acetyl-7'-hydroxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 11022514
tert-butyl (3'aR,5S,7'S,7'aS)-2',2'-diethyl-7'-hydroxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 11728441
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 21675934

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The IUPAC name of (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (CID 10980008) is (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.
What is the SMILES notation for (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The canonical SMILES for (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide is CN(C)C(=O)N1C[C@]2(OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)OC1=O.
What is the InChIKey of (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The InChIKey is ILEROGWQROCSCW-SKNMHBRKSA-N. The full InChI is InChI=1S/C13H20N2O7/c1-12(2)20-7-5-19-13(9(16)8(7)21-12)6-15(11(18)22-13)10(17)14(3)4/h7-9,16H,5-6H2,1-4H3/t7-,8-,9+,13+/m1/s1.
What are the key properties of (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
(3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S,7'S,7'aS)-7'-hydroxy-N,N,2',2'-tetramethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide is sourced from PubChem (CID 10980008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).