Fmoc-oic-oh

C₂₄H₂₅NO₄CAS 130309-37-4391.47 g/mol

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Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₅NO₄
Molar mass: 391.47 g/mol
Exact mass: 391.1784 Da
logP: 4.65Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

130309-37-4

SMILES

C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChIKey

JBZXLQHJZHITMW-RXYZOABWSA-N

InChI

InChI=1S/C24H25NO4/c26-23(27)22-13-15-7-1-6-12-21(15)25(22)24(28)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-22H,1,6-7,12-14H2,(H,26,27)/t15-,21-,22-/m0/s1

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Names and synonyms

1 names

(2S,3aS,7aS)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-octahydro-1H-indole-2-carboxylic acid

Work with Fmoc-oic-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

D-Fmoc-pipecolic acid101555-63-965 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-765 % similar Fmoc-L-pipecolic acid86069-86-565 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-864 % similar Fmoc-pro-OH71989-31-664 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-263 % similar (-)-(R)-Fmoc-4-thiazolidinecarboxylic acid423719-54-460 % similar Fmoc-N-methyl-L-norleucine112883-42-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Flavoxate15301-69-6

Elsewhere

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