chempirical

Piperidin-1-yl-acetic acid

C7H13NO2CAS 3235-67-4143.19 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.56Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
3235-67-4
SMILES
C1CCN(CC1)CC(=O)O
InChIKey
VRDBIJCCXDEZJN-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)

Weigh it out

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

Work with Piperidin-1-yl-acetic acid

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

Hexamethylenediaminetetraacetic acid1633-00-790 % similar PDTA1939-36-277 % similar Dota (chelator)60239-18-176 % similar Pentetic acid67-43-673 % similar Triethylenetetraminehexaacetic acid869-52-373 % similar Ethylenediaminetetraacetic acid60-00-468 % similar Nitrilotriacetic acid139-13-967 % similar Bicine150-25-464 % 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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