H-D-Pro-oet hcl

C7H14ClNO2CAS 131477-20-8179.64 g/mol

Open in Covalent MOL file
OOHNHCl
EsterSecondary amine

Properties

Molecular formula
C7H14ClNO2
Molar mass
179.64 g/mol
Exact mass
179.0713 Da
logP
0.72Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
131477-20-8
SMILES
CCOC(=O)[C@H]1CCCN1.Cl
InChIKey
DUJGQVVONTYHLT-FYZOBXCZSA-N
InChI
InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1

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Work with H-D-Pro-oet hcl

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

Ethyl 2-piperidinecarboxylate15862-72-381 % similar Ethyl 2-piperidinecarboxylate35677-84-081 % similar Methyl prolinate hydrochloride2133-40-666 % similar (R)-Proline methyl ester hydrochloride65365-28-866 % similar H-Dl-pro-ome hcl79397-50-566 % similar D-Proline tert-butyl ester hydrochloride184719-80-061 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-761 % similar (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4 Stachydrine chloride4136-37-2 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-6 Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride60421-23-0

Elsewhere

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