(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid

C₂₃H₂₅NO₄CAS 288617-73-2379.46 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₂₅NO₄
Molar mass: 379.46 g/mol
Exact mass: 379.1784 Da
logP: 4.72Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 8
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

288617-73-2

SMILES

C[C@](CCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

MRJFPZWLOJOINV-QHCPKHFHSA-N

InChI

InChI=1S/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)/t23-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylhept-6-enoic acid

Work with (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic 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

(S)-N-Fmoc-2-(7'-octenyl) alanine288617-75-493 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-968 % similar Fmoc-alpha-methyl-L-phe135944-05-767 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid246539-83-362 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-461 % similar Fmoc-cycloleucine117322-30-260 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-857 % similar 4-(Fmoc-amino)-tetrahydropyran-4-carboxylic acid285996-72-756 % similar

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

Same formula

Fmoc-chg-oh161321-36-4 Fmoc-tranexamic acid167690-53-1 Fmoc-D-chg-oh198543-96-3 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclopentylpropanoic acid371770-32-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook