(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid

C₂₅H₂₃NO₄CAS 77128-73-5401.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₃NO₄
Molar mass: 401.46 g/mol
Exact mass: 401.1627 Da
logP: 4.56Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

77128-73-5

SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

GBROUWPNYVBLFO-QHCPKHFHSA-N

InChI

InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-N-methyl-L-phenylalanine

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic 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

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.

Fmoc-N-methyl-D-phenylalanine138775-05-0Enantiomer

Similar compounds

N-Fmoc-N-methyl-3-(2-naphthyl)-L-alanine2138482-09-278 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-777 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-175 % similar Fmoc-N-methyl-L-leucine103478-62-274 % similar N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-D-leucine103478-63-374 % similar Fmoc-N-methyl-L-norleucine112883-42-872 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-271 % similar Cbz-N-methyl-L-phenylalanine2899-07-270 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-L-homophenylalanine132684-59-4 Fmoc-alpha-methyl-L-phe135944-05-7 Fmoc-D-homophenylalanine135944-09-1 Fmoc-D-homophenylalanine135994-09-1 Fmoc-L-beta-homophenylalanine193954-28-8 Fmoc-L-4-methylphe199006-54-7 Fmoc-D-4-methylphe204260-38-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook