tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate

C9H17NO3CAS 109431-87-0187.24 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
0.99Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
109431-87-0
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)O
InChIKey
APCBTRDHCDOPNY-SSDOTTSWSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1

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Names and synonyms

1 names
  • (R)-1-Boc-3-hydroxypyrrolidine

Work with tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5Enantiomer 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9Stereo not defined

Similar compounds

(R)-1-Boc-3-hydroxypiperidine143900-43-083 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-183 % similar 1-Boc-3-hydroxypiperidine85275-45-283 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-282 % similar 1-N-Boc-3-hydroxyazetidine141699-55-076 % similar tert-Butyl 4-hydroxyazepane-1-carboxylate478832-21-273 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-669 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-869 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 1-Boc-azetidine-3-ylmethanol142253-56-3 tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-9 tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-8 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6

Elsewhere

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