4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid

C₁₁H₁₉NO₅CAS 172843-97-9245.27 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₉NO₅
Molar mass: 245.27 g/mol
Exact mass: 245.1263 Da
logP: 1.35Crippen estimate
Polar surface area: 88.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

172843-97-9

SMILES

CC(C)(C)OC(O)=NC1(C(=O)O)CCOCC1

InChIKey

SPPDKPRJPFTBEV-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)4-6-16-7-5-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)

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Names and synonyms

5 names

2H-Pyran-4-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-
4-[(tert-Butoxycarbonyl)amino]-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid
4-[(tert-Butoxycarbonyl)amino]tetrahydro-2H-pyran-4-carboxylic acid
4-(Boc-amino)tetrahydropyran-4-carboxylic acid
4-[[[tert-Butoxy)carbonyl]amino]oxane-4-carboxylic acid

Work with 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic 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

Similar compounds

1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-582 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-678 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-158 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-355 % similar (1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid159622-10-348 % similar 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-547 % similar 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-347 % similar 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-745 % similar

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

Same formula

N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-9 (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-6 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-0 (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-0 Ac-glu(otbu)-oh84192-88-1

Elsewhere

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