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

C₉H₁₇NO₃CAS 109431-87-0187.24 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₉H₁₇NO₃
Molar mass: 187.24 g/mol
Exact mass: 187.1208 Da
logP: 0.99Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

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

Similar compounds

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-282 % 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 tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-664 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-063 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-763 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-260 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 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 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6 (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-8

Elsewhere

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