N-(9-Fluorenylmethoxycarbonyl)-D-alanine

C18H17NO4CAS 79990-15-1311.34 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C18H17NO4
Molar mass
311.34 g/mol
Exact mass
311.1158 Da
logP
3.20Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
79990-15-1
SMILES
C[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
QWXZOFZKSQXPDC-LLVKDONJSA-N
InChI
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • D-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-alanine
  • (R)-N-Fmoc-alanine
  • 962: PN: WO2006135786 PAGE: 69 claimed protein
  • (R)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]propionic acid
  • 270: PN: US20070042401 PAGE: 36 claimed protein
  • D-Fmoc-alanine
  • FMOC-D-Alanine
  • (2R)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
  • (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)propanoic acid
  • (2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]propanoic acid

Work with N-(9-Fluorenylmethoxycarbonyl)-D-alanine

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.

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-3Enantiomer

Similar compounds

Fmoc-L-valine68858-20-874 % similar Fmoc-leucine35661-60-071 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-270 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-069 % similar N-Fmoc-L-isoleucine71989-23-669 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-266 % similar (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid214750-76-266 % similar Fmoc-L-phenylalanine35661-40-666 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-B-ala-oh35737-10-1 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid77128-70-2 (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-8

Elsewhere

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