CAS 35661-39-3|CAS 207291-76-7|N-Alpha-Fmoc-L-alanine|(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid|(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid|N-(9-Fluorenylmeth...

General Information

Structure

Molecular Formula

C₁₈H₁₇NO₄

Molecular Mass

311.33188

Exact Mass

311.11575803

Charge

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-/m0/s1

InChIKey

QWXZOFZKSQXPDC-NSHDSACASA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)C)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

C[C@@H](C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2

Calculated Properties

JChem

Acid pKa

3.7422893

H Acceptors

H Donor

LogD (pH = 5.5)

1.2873689

LogD (pH = 7.4)

-0.24262114

Log P

3.0453172

Molar Refractivity

84.5771

Polarizability

33.993576

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-Alpha-Fmoc-L-alanineN-(9-Fluorenylmethoxycarbonyl)-L-alanineFmoc-Ala-OHN-α-FMOC-L-ALANINEFmoc-L-丙氨酸N-芴甲氧羰基-L-丙氨酸Fmoc-Ala-OHFmoc-L-alanineN-(9-Fluorenylmethoxycarbonyl)-L-alanine monohydrateFmoc-Ala-OH.H2ON-Fmoc-L-alanine monohydrateN-Fmoc-L-丙氨酸单水合物

IUPAC Traditional name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

IUPAC name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

Names and Identifiers

Registration numbers

EC Number

252-660-6

Beilstein Number

2225975

MDL Number

MFCD00037139