chempirical

(2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid

C21H21NO4CAS 214750-76-2351.40 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic acid

Properties

Molecular formula
C21H21NO4
Molar mass
351.40 g/mol
Exact mass
351.1471 Da
logP
3.98Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
214750-76-2
SMILES
O=C(O)[C@H](CC1CC1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
DRGUEWQZLABTFG-IBGZPJMESA-N
InChI
InChI=1S/C21H21NO4/c23-20(24)19(11-13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m0/s1

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Names and synonyms

4 names
  • (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid
  • Cyclopropanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
  • (2S)-3-Cyclopropyl-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
  • (2S)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Work with (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic 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.

(2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-2Enantiomer

Similar compounds

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-991 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanepropanoic acid144701-25-789 % similar Fmoc-leucine35661-60-078 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid467442-21-378 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-273 % similar Fmoc-L-phenylalanine35661-40-672 % similar Fmoc-L-propargylglycine198561-07-871 % similar D-Fmoc-methionine112883-40-670 % similar

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

Same formula

D-Fmoc-pipecolic acid101555-63-9 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-7 Fmoc-cycloleucine117322-30-2 (4S)-1-Fmoc-4-methyl-L-proline1228577-03-4 Fmoc-isonipecotic acid148928-15-8 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-7 4-(5-(4-(Pentyloxy)phenyl)-3-isoxazolyl)benzoic acid179162-55-1

Elsewhere

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