L-Glutamic acid 5-cyclohexyl ester

C₁₁H₁₉NO₄CAS 112471-82-6229.28 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Primary amine

Properties

Molecular formula: C₁₁H₁₉NO₄
Molar mass: 229.28 g/mol
Exact mass: 229.1314 Da
logP: 1.05Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

112471-82-6

SMILES

C1CCC(CC1)OC(=O)CC[C@@H](C(=O)O)N

InChIKey

JSYMWKYNCWQUOY-VIFPVBQESA-N

InChI

InChI=1S/C11H19NO4/c12-9(11(14)15)6-7-10(13)16-8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,14,15)/t9-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

H-Glu(OcHex)-OH

Work with L-Glutamic acid 5-cyclohexyl ester

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (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 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3 (R)-Boc-2-methylproline166170-15-6 (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-9

Elsewhere

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