chempirical

1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate

C10H20N2O3CAS 663948-85-4216.28 g/mol

Open in Covalent MOL file
OOHNNHHO
AlcoholSecondary amine

Properties

Molecular formula
C10H20N2O3
Molar mass
216.28 g/mol
Exact mass
216.1474 Da
logP
0.44Crippen estimate
Polar surface area
74.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
663948-85-4
SMILES
CC(C)(C)OC(O)=N[C@@H]1CN[C@H](CO)C1
InChIKey
DWYPGXBZFDWCPC-YUMQZZPRSA-N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1

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Names and synonyms

2 names
  • Carbamic acid, N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate

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

1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-661 % similar (R)-(+)-2-(BOC-Amino)-1,4-butanediol397246-14-957 % similar tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate106391-86-054 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-954 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-053 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-853 % similar 4-(N-Boc-amino)piperidine73874-95-052 % similar 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-051 % similar

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

Same formula

tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-1 tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-0 tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate205434-75-9 (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-2 4-N-Boc-2-hydroxymethylpiperazine301673-16-5 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-7 3-Aminomethyl-4-boc-morpholine475106-18-4 (S)-N-Boc-2-aminomethylmorpholine879403-42-6

Elsewhere

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