chempirical

(S)-2-Amino-3-((S)-2-oxopyrrolidin-3-yl)propanenitrile hydrochloride

C7H12ClN3OCAS 2755950-35-5189.64 g/mol

Open in Covalent MOL file
NHONNH2HCl
AmideLactamNitrilePrimary amine

Properties

Molecular formula
C7H12ClN3O
Molar mass
189.64 g/mol
Exact mass
189.0669 Da
logP
-0.21Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2755950-35-5
SMILES
C1CNC(=O)[C@@H]1C[C@@H](C#N)N.Cl
InChIKey
IBSLXCKXTQWTDO-GEMLJDPKSA-N
InChI
InChI=1S/C7H11N3O.ClH/c8-4-6(9)3-5-1-2-10-7(5)11;/h5-6H,1-3,9H2,(H,10,11);1H/t5-,6-;/m0./s1

Weigh it out

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

Work with (S)-2-Amino-3-((S)-2-oxopyrrolidin-3-yl)propanenitrile hydrochloride

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

(3S)-3-Aminopiperidin-2-one34294-79-634 % similar L-2-Aminohexano-6-lactam21568-87-633 % similar D-Alpha-amino-epsilon-caprolactam28957-33-733 % similar 3-Hydroxy-2-pyrrolidinone15166-68-433 % similar 4-Piperidinecarbonitrile hydrochloride240401-22-333 % similar Methyl (S)-2-(boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate328086-60-832 % similar Nirmatrelvir2628280-40-832 % similar 3-Aminopiperidine-2,6-dione hydrochloride24666-56-631 % similar

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

Elsewhere

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