Fmoc-B-ala-oh

C₁₈H₁₇NO₄CAS 35737-10-1311.34 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₈H₁₇NO₄
Molar mass: 311.34 g/mol
Exact mass: 311.1158 Da
logP: 3.00Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

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

Aggregated from 3 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

35737-10-1

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)O

InChIKey

LINBWYYLPWJQHE-UHFFFAOYSA-N

InChI

InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)

Weigh it out

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

Names and synonyms

1 names

N-Fluorenylmethoxycarbonyl-I2-alanine

Work with Fmoc-B-ala-oh

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

Fmoc-gamma-abu-oh116821-47-788 % similar Fmoc-5-aminopentanoic acid123622-48-086 % similar N-Fmoc-8-aminooctanoic acid126631-93-484 % similar Fmoc-7-amino-heptanoic acid127582-76-784 % similar Fmoc-6-aminohexanoic acid88574-06-584 % similar Fmoc-N-amido-peg1-acid1654740-73-482 % similar Fmoc-N-amido-peg24-acid2170484-59-880 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-180 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-3 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid77128-70-2 (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-8 N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook