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Fmoc-(S)-2-amino-5-(3-methoxyphenyl)pentanoic acid

HCID 178761971
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Basic information

CAS
2255321-15-2
Standard SMILES
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](COc1ccccc1Cl)C(=O)O
InChIKey
YVEUODHMPQPULT-QFIPXVFZSA-N
Molecular formula
C25H22ClNO5
Average molar mass
451.9 g/mol

Names & identifiers

Preferred name
Fmoc-(S)-2-amino-5-(3-methoxyphenyl)pentanoic acid
IUPAC
(2S)-3-(2-chlorophenoxy)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
English name
L-Serine, O-(2-chlorophenyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
Molecular formula
C25H22ClNO5
Molecular weight
451.9

Names & synonyms

Fmoc-(S)-2-amino-5-(3-methoxyphenyl)pentanoic acidFmoc-O-(2-chlorophenyl)-N-methyl-L-serine2255321-15-2N-Methyl-N-Fmoc-O-(2-chlorophenyl)-L-serineSCHEMBL21838078SCHEMBL30510225SCHEMBL30861807MFCD34622833CS-0439336(2S)-3-(2-chlorophenoxy)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acidN-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-(2-chlorophenyl)-N-methyl-L-serine(2S)-3-(2-chlorophenoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid
Show more names
Fmoc-N-Methyl-L-Ser(2-chlorophenyl)-OHL-Serine, O-(2-chlorophenyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-

Database identifiers

CAS
2255321-15-2

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
638

Physicochemical properties

Boiling point
615.3 · 615.3±55.0 °C(Predicted)
Density
1.336 · 1.336±0.06 g/cm3(Predicted)
pka
3.29 · 3.29±0.10(Predicted)

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