chempirical

N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C25H21NO4CAS 130309-33-0399.45 g/mol

Open in Covalent MOL file
NOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C25H21NO4
Molar mass
399.45 g/mol
Exact mass
399.1471 Da
logP
4.45Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
130309-33-0
SMILES
C1[C@@H](N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChIKey
LIRBCUNCXDZOOU-HSZRJFAPSA-N
InChI
InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/t23-/m1/s1

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Names and synonyms

1 names
  • (3R)-2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Work with N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-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

N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-869 % similar Fmoc-pro-oh71989-31-669 % similar D-Fmoc-pipecolic acid101555-63-968 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-768 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-464 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline129223-22-963 % similar Boc-D-tic-oh115962-35-159 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-058 % similar

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

Same formula

Fmoc-tic-oh136030-33-6

Elsewhere

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