L-Glutamic acid 5-cyclohexyl ester

C11H19NO4CAS 112471-82-6229.28 g/mol

Open in Covalent MOL file
OOOHOH2N
Carboxylic acidEsterPrimary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin 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
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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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

Similar compounds

5-Methyl hydrogen L-glutamate1499-55-461 % similar Ethyl L-glutamate1119-33-157 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-956 % similar H-D-Glu(otbu)-oh45125-00-656 % similar L-Homocyclohexyl alanine116622-38-954 % similar (R)-2-Amino-4-cyclohexylbutanoic acid728880-26-054 % similar Dl-alpha-aminosuberic acid19641-59-954 % similar Diaminopimelic acid583-93-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3

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