2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid

C₁₁H₁₉NO₄CAS 101555-60-6229.28 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
logP: 1.86Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101555-60-6

SMILES

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

InChIKey

GDWKIRLZWQQMIE-MRVPVSSYSA-N

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

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Names and synonyms

1 names

Boc-D-beta-homoproline

Work with 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid

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.

(S)-2-(1-BOC-2-pyrrolidinyl)acetic acid56502-01-3Enantiomer

Similar compounds

3-(1-(tert-Butoxycarbonyl)piperidin-2-yl)propanoic acid669713-96-672 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-168 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-868 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-968 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-864 % similar (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-464 % similar N-Boc-piperidine-2-methanol157634-00-963 % similar (R)-tert-Butyl 2-(methoxymethyl)pyrrolidine-1-carboxylate578741-10-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 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 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3

Elsewhere

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