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

C10H17NO3 — CID 130245188

IUPAC2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
SMILESCC1(C)OC2C=C[C@@H](C(O)CN)C2O1
InChIInChI=1S/C10H17NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,12H,5,11H2,1-2H3/t6-,7?,8?,9?/m0/s1
InChIKeyVEPSZBLGSHOKBE-JUGFDQIVSA-N
MW199.25 g/mol
LogP0.01
Rot. Bonds2

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

2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol (PubChem CID 130245188) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
PubChem CID130245188
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
SMILESCC1(C)OC2C=C[C@@H](C(O)CN)C2O1
InChIInChI=1S/C10H17NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,12H,5,11H2,1-2H3/t6-,7?,8?,9?/m0/s1
InChIKeyVEPSZBLGSHOKBE-JUGFDQIVSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-g][1,3]benzodioxole
CID 10489426
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 89411642
1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol
CID 130231003
(3aR,5R,6aS)-5-(2-amino-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 46780242
5-(2-amino-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 3607829
(3aR,5R,6S,6aR)-5-[(1S)-2-amino-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 129354002
(3aR,5R,6aS)-5-(2-amino-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;hydrochloride
CID 46780241
[(3aR,4R,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 10943172
[(6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
CID 130245409
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
[(7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tri(propan-2-yl)silane
CID 59270211
N-[(3aR,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]benzamide
CID 10858189

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol (CID 130245188) is 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol is CC1(C)OC2C=C[C@@H](C(O)CN)C2O1.
What is the InChIKey of 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
The InChIKey is VEPSZBLGSHOKBE-JUGFDQIVSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,12H,5,11H2,1-2H3/t6-,7?,8?,9?/m0/s1.
What are the key properties of 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol?
2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol has a molecular weight of 199.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol is sourced from PubChem (CID 130245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).