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

C₆H₁₂ClNO₂CAS 1508261-86-6165.62 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

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.

2-Methyl-L-proline42856-71-3Free base H-Alpha-me-D-pro-oh63399-77-9Free base, enantiomer

Similar compounds

2-Methyl-L-proline methyl ester hydrochloride220060-08-257 % similar 2,2-Dimethylpyrrolidine hydrochloride623580-01-842 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-042 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-941 % similar 1-Methylcyclobutanecarboxylic acid32936-76-841 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-541 % similar (R)-2-Methylcysteine hydrochloride148766-37-441 % similar (S)-2-Methylcysteine hydrochloride151062-55-441 % 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 3-pyrrolidinecarboxylate hcl198959-37-4 Methyl prolinate hydrochloride2133-40-6 Aminoethyl methacrylate hydrochloride2420-94-2 Isonipecotic acid hydrochloride5984-56-5 (R)-Proline methyl ester hydrochloride65365-28-8 H-Dl-pro-ome hcl79397-50-5

Elsewhere

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