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

C₂₇H₂₂N₂O₄CAS 204322-23-6438.48 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid268731-07-3Enantiomer

Similar compounds

Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid123910-26-965 % similar N-Alpha-(t-Butyloxycarbonyl)-1,2,3,4-tetrahydronorharman-L-3-carboxylic acid66863-43-265 % similar N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-065 % similar Fmoc-tic-oh136030-33-665 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-859 % similar Fmoc-pro-OH71989-31-659 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-258 % similar D-Fmoc-pipecolic acid101555-63-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-3-(3'-quinolyl)-L-alanine281655-61-6

Elsewhere

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