chempirical

Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid

C27H22N2O4CAS 204322-23-6438.48 g/mol

Open in Covalent MOL file
NHNOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C27H22N2O4
Molar mass
438.48 g/mol
Exact mass
438.1580 Da
logP
4.93Crippen estimate
Polar surface area
82.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
204322-23-6
SMILES
C1[C@H](N(CC2=C1C3=CC=CC=C3N2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChIKey
IHHULIKSMJSELI-VWLOTQADSA-N
InChI
InChI=1S/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)/t25-/m0/s1

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Work with Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic 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

Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid123910-26-965 % similar N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-065 % similar Fmoc-tic-oh136030-33-665 % similar N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-859 % similar Fmoc-pro-oh71989-31-659 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-258 % similar D-Fmoc-pipecolic acid101555-63-958 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-758 % similar

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

Elsewhere

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