chempirical

(S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)

C6H12ClNO2CAS 1508261-86-6165.62 g/mol

Open in Covalent MOL file
NHOHOHCl
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H12ClNO2
Molar mass
165.62 g/mol
Exact mass
165.0557 Da
logP
0.63Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1508261-86-6
SMILES
C[C@]1(CCCN1)C(=O)O.Cl
InChIKey
YWPABDPNGQMUFH-RGMNGODLSA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-6(5(8)9)3-2-4-7-6;/h7H,2-4H2,1H3,(H,8,9);1H/t6-;/m0./s1

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Names and synonyms

1 names
  • (S)-2-Methylpyrrolidine-2-carboxylic acid hydrochloride

Work with (S)-2-Methylpyrrolidine-2-carboxylic acid (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

2-Methyl-L-proline42856-71-389 % similar 2,2-Dimethylpyrrolidine hydrochloride623580-01-842 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-042 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-541 % similar 1-Methylcyclohexanecarboxylic acid1123-25-740 % similar 1-Methylcyclopropanecarboxylic acid6914-76-739 % similar N-tert-Butylglycine hydrochloride6939-23-738 % similar 1-Carboxy-1-methylethoxyammonium chloride89766-91-637 % similar

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

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 Methyl prolinate hydrochloride2133-40-6 2-Aminoethyl methacrylate hydrochloride2420-94-2 4-Piperidinecarboxylic acid, hydrochloride (1:1)5984-56-5 (R)-Proline methyl ester hydrochloride65365-28-8 (E)-4-(Dimethylamino)-2-butenoic acid hydrochloride848133-35-7

Elsewhere

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