(R)-Boc-2-methylproline

C₁₁H₁₉NO₄CAS 166170-15-6229.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₁H₁₉NO₄
Molar mass: 229.28 g/mol
Exact mass: 229.1314 Da
Melting point: 127–129 °C
logP: 1.86Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin93.3% of notifiers
H332 Harmful if inhaled93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

166170-15-6

SMILES

CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)O

InChIKey

YQXRKJHVAUKXRN-LLVKDONJSA-N

InChI

InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m1/s1

Weigh it out

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

Names and synonyms

5 names

1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)-
1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (R)-
(R)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
(R)-N-Boc-2-MethyL proline
(2R)-1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid

Work with (R)-Boc-2-methylproline

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.

(2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7Enantiomer 1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid203869-80-1Stereo not defined

Similar compounds

1-((tert-Butoxy)carbonyl)-3-methylpiperidine-3-carboxylic acid534602-47-656 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-953 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-451 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-351 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-147 % similar Boc-N,2-dimethylalanine146000-39-747 % similar 3-Benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid170838-83-246 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-946 % similar

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4

Elsewhere

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