1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol

C10H19NO3 — CID 130231003

IUPAC1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol
SMILESCC1(C)OC2CC[C@@H](C(O)CN)[C@H]2O1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h6-9,12H,3-5,11H2,1-2H3/t6-,7?,8?,9+/m0/s1
InChIKeyQCIDRGXDMSCMAA-DFAZKQQPSA-N
MW201.27 g/mol
LogP0.24
Rot. Bonds2

About 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol

1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol (PubChem CID 130231003) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol.

Molecular Properties

Compound Name1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol
PubChem CID130231003
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol
SMILESCC1(C)OC2CC[C@@H](C(O)CN)[C@H]2O1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h6-9,12H,3-5,11H2,1-2H3/t6-,7?,8?,9+/m0/s1
InChIKeyQCIDRGXDMSCMAA-DFAZKQQPSA-N
XLogP0.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol with MolForge

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Related Compounds

2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
CID 130245188
(3aS,4R,5S,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5-diol
CID 102460863
(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,4R,6aS)-4-(bromomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 11241810
(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
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524
(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 7577064
(Z,1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1-ol
CID 11808745
1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol
CID 73334090
(3aS,4S,5R,7aR)-2,2-dimethylspiro[4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5,2'-oxirane]-4-ol
CID 11333120

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol?
The IUPAC name of 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol (CID 130231003) is 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol.
What is the SMILES notation for 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol?
The canonical SMILES for 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol is CC1(C)OC2CC[C@@H](C(O)CN)[C@H]2O1.
What is the InChIKey of 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol?
The InChIKey is QCIDRGXDMSCMAA-DFAZKQQPSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h6-9,12H,3-5,11H2,1-2H3/t6-,7?,8?,9+/m0/s1.
What are the key properties of 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol?
1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol has a molecular weight of 201.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4S)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-aminoethanol is sourced from PubChem (CID 130231003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).