(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol

C₈H₁₅NO₃CAS 155899-66-4173.21 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine

Properties

Molecular formula: C₈H₁₅NO₃
Molar mass: 173.21 g/mol
Exact mass: 173.1052 Da
logP: -0.40Crippen estimate
Polar surface area: 64.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0
Stereocentres: S, R, S, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed18.2% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage81.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

155899-66-4

SMILES

CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)N)C

InChIKey

AXPYGRDXRLICKY-JRTVQGFMSA-N

InChI

InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(3Ar,4S,6R,6as)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol

Work with (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-O-Isopropylidene-D-mannitol3969-84-455 % similar Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-947 % similar 2-((3Ar,4S,6R,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[D][1,3]dioxol-4-yloxy)ethanol L-tataric acid376608-65-044 % similar Phenylmethyl N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-740 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-139 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-234 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-434 % similar Diaceton-alpha-D-mannofuranose14131-84-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7 6-Acetylaminocaproic acid57-08-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook