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

C₁₂H₁₃NO₄CAS 106973-36-8235.24 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether Lactam

Properties

Molecular formula: C₁₂H₁₃NO₄
Molar mass: 235.24 g/mol
Exact mass: 235.0845 Da
logP: 0.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

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 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-848 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-045 % similar (Benzyloxycarbonyl)glycyl-L-proline1160-54-945 % similar 1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-845 % similar O-(Phenylmethyl)-D-serine10433-52-044 % similar O-Benzyl-L-serine4726-96-944 % 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 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

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