chempirical

tert-Butyl N-(((2R)-pyrrolidin-2-yl)methyl)carbamate

C10H20N2O2CAS 719999-54-9200.28 g/mol

Open in Covalent MOL file
OONHHN
CarbamateSecondary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.26Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Rin 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
719999-54-9
SMILES
CC(C)(C)OC(=O)NC[C@H]1CCCN1
InChIKey
DPJPFGHHTJLWQQ-MRVPVSSYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1

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Names and synonyms

1 names
  • Carbamic acid, [(2R)-2-pyrrolidinylmethyl]-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl N-(((2R)-pyrrolidin-2-yl)methyl)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

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.

2-Boc-aminomethylpyrrolidine149649-58-1Stereo not defined

Similar compounds

tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-091 % similar 3-N-Boc-aminomethylpiperidine142643-29-663 % similar 4-(Boc-aminomethyl)piperidine135632-53-061 % similar 3-(Boc-amino)piperidine172603-05-360 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-860 % similar (R)-3-(Boc-amino)piperidine309956-78-360 % similar 3-Boc-aminomethylpyrrolidine149366-79-059 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-659 % similar

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

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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