(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

C13H18N2O7 — CID 11056113

IUPAC(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[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]3C2=O)OC1=O
InChIInChI=1S/C13H18N2O7/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/h7-8H,5-6H2,1-4H3/t7-,8-,13+/m1/s1
InChIKeyRGOQADJGQBLANR-RBDZCENOSA-N
MW314.29 g/mol
LogP-0.06
Rot. Bonds

About (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide

(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (PubChem CID 11056113) has the molecular formula C13H18N2O7 and a molecular weight of 314.29 g/mol. Its IUPAC name is (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.

Molecular Properties

Compound Name(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
PubChem CID11056113
Molecular FormulaC13H18N2O7
Molecular Weight314.29 g/mol
Exact Mass314.11
IUPAC Name(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[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]3C2=O)OC1=O
InChIInChI=1S/C13H18N2O7/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/h7-8H,5-6H2,1-4H3/t7-,8-,13+/m1/s1
InChIKeyRGOQADJGQBLANR-RBDZCENOSA-N
XLogP-0.06
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 58766090
(5S,8'aR)-N,N,2',2'-tetramethyl-2,8'-dioxospiro[1,3-oxazolidine-5,7'-5,8a-dihydropyrano[4,3-d][1,3]dioxine]-3-carboxamide
CID 142119908
(3'aR,5S,7'aR)-2',2'-dimethyl-3-(4-methylsulfonylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 101231522
(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
CID 58766047
(3'aR,5S,7'aR)-3-(3-iodo-4-methylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 11676942
(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 11667389
2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
CID 20617452
(3aR,6S,7aR)-2,2-dimethyl-4'-(4-methylphenyl)spiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
CID 25177957
CID 162264970
CID 162264970
6-(2-chloroethoxy)-6-(hydroxymethyl)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 22081769
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 45157469
N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide
CID 102424537

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The IUPAC name of (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide (CID 11056113) is (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide.
What is the SMILES notation for (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The canonical SMILES for (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[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]3C2=O)OC1=O.
What is the InChIKey of (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
The InChIKey is RGOQADJGQBLANR-RBDZCENOSA-N. The full InChI is InChI=1S/C13H18N2O7/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/h7-8H,5-6H2,1-4H3/t7-,8-,13+/m1/s1.
What are the key properties of (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide?
(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide has a molecular weight of 314.29 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide is sourced from PubChem (CID 11056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).