chempirical

Methyl isonipecotate

C7H13NO2CAS 2971-79-1143.19 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.16Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2971-79-1
SMILES
COC(=O)C1CCNCC1
InChIKey
RZVWBASHHLFBJF-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3

Weigh it out

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

Work with Methyl isonipecotate

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.

Methyl isonipecotate hydrochloride7462-86-4Salt

Similar compounds

Methyl cyclopropanecarboxylate2868-37-371 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-271 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-071 % similar Methyl 3-pyrrolidinecarboxylate hcl198959-37-470 % similar Methyl cyclopentanecarboxylate4630-80-265 % similar Methyl cyclohexanecarboxylate4630-82-463 % similar Methyl piperidine-3-carboxylate50585-89-261 % similar Methyl tetrahydropyran-4-carboxylate110238-91-061 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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