1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate

C₁₀H₂₀N₂O₂CAS 147081-59-2200.28 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.22Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

147081-59-2

SMILES

CN[C@H]1CCN(C(=O)OC(C)(C)C)C1

InChIKey

OKUCEQDKBKYEJY-QMMMGPOBSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1

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

Names and synonyms

4 names

1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)-
1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (S)-
tert-Butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
(S)-tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate

Work with 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate

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.

1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-9Enantiomer 1-Boc-3-methylaminopyrrolidine454712-26-6Stereo not defined

Similar compounds

(R)-1-N-Boc-3-methylaminopiperidine203941-94-084 % similar tert-Butyl 3-(methylamino)piperidine-1-carboxylate392331-89-484 % similar 1-Boc-4-methylaminopiperidine147539-41-183 % similar 1-Boc-3-methylaminoazetidine454703-20-977 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-063 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-560 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-960 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-060 % 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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