chempirical

4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

C20H19NO6CAS 145038-53-5369.37 g/mol

Open in Covalent MOL file
OONHOOOOH
Carboxylic acidEster

Properties

Molecular formula
C20H19NO6
Molar mass
369.37 g/mol
Exact mass
369.1212 Da
Melting point
122–125 °C
logP
2.75Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
145038-53-5
SMILES
COC(=O)C[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
HSOKCYGOTGVDHL-KRWDZBQOSA-N
InChI
InChI=1S/C20H19NO6/c1-26-18(22)10-17(19(23)24)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1

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

Names and synonyms

5 names
  • L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester
  • N-9-Fluorenylmethoxycarbonylaspartic acid β-methyl ester
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino]-4-methoxy-4-oxobutanoic acid
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-methoxy-4-oxobutanoic acid
  • (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methoxy-4-oxobutanoic acid

Work with 4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

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 N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-283 % similar Fmoc-L-asp(otbu)-oh71989-14-576 % similar 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-875 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-270 % similar Fmoc-L-asparagine71989-16-770 % similar Fmoc-leucine35661-60-069 % similar D-Fmoc-methionine112883-40-668 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-168 % similar

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

Same formula

Fmoc-L-glutamic acid121343-82-6

Elsewhere

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