(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide

C13H23NO6 — CID 89151474

IUPAC(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide
SMILESCOC(C)(C)OC1CC(C(N)=O)O[C@@H]2OC(C)(C)OC12
InChIInChI=1S/C13H23NO6/c1-12(2,16-5)18-7-6-8(10(14)15)17-11-9(7)19-13(3,4)20-11/h7-9,11H,6H2,1-5H3,(H2,14,15)/t7?,8?,9?,11-/m1/s1
InChIKeyCXBPKBKFDFCQAJ-AWAZGIPZSA-N
MW289.33 g/mol
LogP0.51
Rot. Bonds4

About (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide

(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide (PubChem CID 89151474) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide.

Molecular Properties

Compound Name(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide
PubChem CID89151474
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide
SMILESCOC(C)(C)OC1CC(C(N)=O)O[C@@H]2OC(C)(C)OC12
InChIInChI=1S/C13H23NO6/c1-12(2,16-5)18-7-6-8(10(14)15)17-11-9(7)19-13(3,4)20-11/h7-9,11H,6H2,1-5H3,(H2,14,15)/t7?,8?,9?,11-/m1/s1
InChIKeyCXBPKBKFDFCQAJ-AWAZGIPZSA-N
XLogP0.51
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-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

(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 130765029
[(1S,2R,6R,8S,9R,11S)-4,4,11-trimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undecan-9-yl] acetate
CID 10422539
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] carbamate
CID 101174255
(E)-4-[(3aS,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-en-2-one
CID 93476671
2-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetic acid
CID 134892610
2,2,5-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 130142145
methyl (3aR,6R,7S)-6-hydroxy-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate
CID 58242475
[(5S,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 58526271
(1S,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 140579372
[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl propanoate
CID 66694118
[(3aR,5R)-2,2-dimethyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl benzoate
CID 167192071
[(3aR,5R,6S,7S,7aR)-6,7-diacetyloxy-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
CID 102508097

Frequently Asked Questions

What is the IUPAC name of (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide?
The IUPAC name of (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide (CID 89151474) is (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide.
What is the SMILES notation for (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide?
The canonical SMILES for (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide is COC(C)(C)OC1CC(C(N)=O)O[C@@H]2OC(C)(C)OC12.
What is the InChIKey of (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide?
The InChIKey is CXBPKBKFDFCQAJ-AWAZGIPZSA-N. The full InChI is InChI=1S/C13H23NO6/c1-12(2,16-5)18-7-6-8(10(14)15)17-11-9(7)19-13(3,4)20-11/h7-9,11H,6H2,1-5H3,(H2,14,15)/t7?,8?,9?,11-/m1/s1.
What are the key properties of (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide?
(3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-7-(2-methoxypropan-2-yloxy)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxamide is sourced from PubChem (CID 89151474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).