chempirical

N-1-Boc-amino-3-cyclopentene

C10H17NO2CAS 193751-54-1183.25 g/mol

Open in Covalent MOL file
OOHN
AlkeneCarbamate

Properties

Molecular formula
C10H17NO2
Molar mass
183.25 g/mol
Exact mass
183.1259 Da
logP
2.23Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
193751-54-1
SMILES
CC(C)(C)OC(=O)NC1CC=CC1
InChIKey
QPKZZWRUFCUFEI-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)

Weigh it out

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

Work with N-1-Boc-amino-3-cyclopentene

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

exo-3-Boc-aminotropane132234-68-560 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-159 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-958 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-255 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-155 % similar Methyl cis-3-(boc-amino)C...142733-63-954 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-653 % similar Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-953 % similar

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

Same formula

1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate114214-71-0 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-7 4-Diethylamino-2-butynyl acetate22396-77-6

Elsewhere

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