(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol

C10H19NO4 — CID 18643925

IUPAC(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol
SMILESCN1C[C@H]2OC(C)(C)O[C@H]2[C@H]1[C@H](O)CO
InChIInChI=1S/C10H19NO4/c1-10(2)14-7-4-11(3)8(6(13)5-12)9(7)15-10/h6-9,12-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyDUCGDZXWICXULV-FNCVBFRFSA-N
MW217.26 g/mol
LogP-0.83
Rot. Bonds2

About (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol

(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol (PubChem CID 18643925) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol
PubChem CID18643925
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol
SMILESCN1C[C@H]2OC(C)(C)O[C@H]2[C@H]1[C@H](O)CO
InChIInChI=1S/C10H19NO4/c1-10(2)14-7-4-11(3)8(6(13)5-12)9(7)15-10/h6-9,12-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyDUCGDZXWICXULV-FNCVBFRFSA-N
XLogP-0.83
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol 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

Casuarine 6-alpha-D-glucoside
CID 67340977
Casuarine-6-alpha-glucoside
CID 384348
beta-D-Glucopyranoside, (hexahydro-1,2,7-trihydroxy-1H-pyrrolizin-3-yl)methyl, 1R-(1alpha,2beta,3alpha,7beta,7aalpha)-
CID 165430161
[(3aR,6R,6aR)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-trimethylazanium bromide
CID 45109728
[(3aR,4R,6aS)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol
CID 10702741
(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11337580
(1S)-1-[(3aS,4S,6S,7S,8aS,8bR)-7-hydroxy-6-(hydroxymethyl)-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]ethane-1,2-diol
CID 135028279
(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 164682071
5-[2-(Aziridin-1-yl)-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 413655
(3aR,8R,9S,9aR,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizine-8,9-diol
CID 11117838
(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46192668
1,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,6,7-triol
CID 73806503

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol (CID 18643925) is (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol is CN1C[C@H]2OC(C)(C)O[C@H]2[C@H]1[C@H](O)CO.
What is the InChIKey of (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol?
The InChIKey is DUCGDZXWICXULV-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2)14-7-4-11(3)8(6(13)5-12)9(7)15-10/h6-9,12-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol?
(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol has a molecular weight of 217.26 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 18643925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).