(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.

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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

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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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