chempirical

Fmoc-7-amino-heptanoic acid

C22H25NO4CAS 127582-76-7367.45 g/mol

Open in Covalent MOL file
OONHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C22H25NO4
Molar mass
367.45 g/mol
Exact mass
367.1784 Da
logP
4.56Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
9

Identifiers

CAS number
127582-76-7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCC(=O)O
InChIKey
FRPYXTFBPCYALT-UHFFFAOYSA-N
InChI
InChI=1S/C22H25NO4/c24-21(25)13-3-1-2-8-14-23-22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,1-3,8,13-15H2,(H,23,26)(H,24,25)

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Names and synonyms

1 names
  • 7-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)heptanoic acid

Work with Fmoc-7-amino-heptanoic 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-Fmoc-8-aminooctanoic acid126631-93-4100 % similar Fmoc-5-aminopentanoic acid123622-48-098 % similar Fmoc-gamma-abu-oh116821-47-791 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-964 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine1001202-16-963 % similar Fmoc-L-glutamic acid121343-82-659 % similar Fmoc-D-lys(Z)-oh110990-07-356 % similar Fmoc-L-aspartic acid119062-05-456 % similar

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

Same formula

Fmoc-N-methyl-L-leucine103478-62-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-3 Fmoc-N-methyl-L-norleucine112883-42-8 Fmoc-N-methyl-L-isoleucine138775-22-1 Fmoc-T-butyl-L-alanine139551-74-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-2 (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine312624-65-0

Elsewhere

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