(R)-4-Benzyl-5-oxo-3-morpholinecarboxylic acid

C12H13NO4CAS 106973-36-8235.24 g/mol

Open in Covalent MOL file
NOOOHO
AmideCarboxylic acidEtherLactam

Properties

Molecular formula
C12H13NO4
Molar mass
235.24 g/mol
Exact mass
235.0845 Da
logP
0.50Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
106973-36-8
SMILES
C1[C@@H](N(C(=O)CO1)CC2=CC=CC=C2)C(=O)O
InChIKey
LAHROJZLGLNLBT-SNVBAGLBSA-N
InChI
InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1

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Work with (R)-4-Benzyl-5-oxo-3-morpholinecarboxylic 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

cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-452 % similar 2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid59564-78-252 % similar N-Benzyl-L-proline31795-93-449 % similar 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-848 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-045 % similar Z-D-Pyr-oh78339-57-845 % similar (Benzyloxycarbonyl)glycyl-L-proline1160-54-945 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-3 (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-8 N-Cbz-L-homoserine lactone35677-89-5 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate87219-29-2 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

Elsewhere

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