chempirical

cis-Zhprome

C14H17NO5CAS 57653-35-7279.29 g/mol

Open in Covalent MOL file
OONOOOH
AlcoholCarbamateEster

Properties

Molecular formula
C14H17NO5
Molar mass
279.29 g/mol
Exact mass
279.1107 Da
logP
0.93Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3
Stereocentres
S, Sin 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
57653-35-7
SMILES
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=CC=C2)O
InChIKey
VVKAGQHUUDRPOI-RYUDHWBXSA-N
InChI
InChI=1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12-/m0/s1

Weigh it out

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Names and synonyms

1 names
  • (2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Work with cis-Zhprome

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-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-0Diastereomer

Similar compounds

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-370 % similar (2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid13504-86-470 % similar 1-Benzyl 2-methyl piperazine-1,2-dicarboxylate126937-43-760 % similar Methyl 1-cbz-azetidine-3-carboxylate757239-60-459 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-958 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-658 % similar 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-058 % similar (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-058 % similar

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

Elsewhere

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