chempirical

Fmoc-isonipecotic acid

C21H21NO4CAS 148928-15-8351.40 g/mol

Open in Covalent MOL file
NOHOOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H21NO4
Molar mass
351.40 g/mol
Exact mass
351.1471 Da
logP
3.73Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
148928-15-8
SMILES
C1CN(CCC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
OJYOOHSQOIDDOO-UHFFFAOYSA-N
InChI
InChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)

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

Work with Fmoc-isonipecotic 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

1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-078 % similar (R)-1-Fmoc-piperidine-3-carboxylic acid193693-67-376 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-968 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-267 % similar N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-865 % similar Fmoc-pro-oh71989-31-665 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-463 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-760 % similar

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

Same formula

D-Fmoc-pipecolic acid101555-63-9 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-7 Fmoc-cycloleucine117322-30-2 (4S)-1-Fmoc-4-methyl-L-proline1228577-03-4 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-7 (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-2 4-(5-(4-(Pentyloxy)phenyl)-3-isoxazolyl)benzoic acid179162-55-1 Fmoc-L-beta-homoproline193693-60-6

Elsewhere

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