2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol

C10H17NO3 — CID 144529174

IUPAC2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
SMILESCC1(C)O[C@H]2[C@H](N)C=C(CCO)[C@H]2O1
InChIInChI=1S/C10H17NO3/c1-10(2)13-8-6(3-4-12)5-7(11)9(8)14-10/h5,7-9,12H,3-4,11H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeySVQWUZVTRWYPFH-HLTSFMKQSA-N
MW199.25 g/mol
LogP0.16
Rot. Bonds2

About 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol

2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol (PubChem CID 144529174) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
PubChem CID144529174
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
SMILESCC1(C)O[C@H]2[C@H](N)C=C(CCO)[C@H]2O1
InChIInChI=1S/C10H17NO3/c1-10(2)13-8-6(3-4-12)5-7(11)9(8)14-10/h5,7-9,12H,3-4,11H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeySVQWUZVTRWYPFH-HLTSFMKQSA-N
XLogP0.16
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol with MolForge

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Related Compounds

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
CID 123223189
(3aS,4S,7R,7aS)-7-(methoxymethoxy)-6-(methoxymethoxymethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-amine
CID 10542463
(1S,2R,3R,6S)-6-amino-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
CID 10825422
[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 101856893

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The IUPAC name of 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol (CID 144529174) is 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol.
What is the SMILES notation for 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The canonical SMILES for 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol is CC1(C)O[C@H]2[C@H](N)C=C(CCO)[C@H]2O1.
What is the InChIKey of 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The InChIKey is SVQWUZVTRWYPFH-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2)13-8-6(3-4-12)5-7(11)9(8)14-10/h5,7-9,12H,3-4,11H2,1-2H3/t7-,8-,9+/m1/s1.
What are the key properties of 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol has a molecular weight of 199.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol is sourced from PubChem (CID 144529174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).