chempirical

Cyclocreatine

C5H9N3O2CAS 35404-50-3143.15 g/mol

Open in Covalent MOL file
NNNH2OOH
Carboxylic acidGuanidine

Properties

Molecular formula
C5H9N3O2
Molar mass
143.15 g/mol
Exact mass
143.0695 Da
logP
-1.30Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35404-50-3
SMILES
C1CN(C(=N1)N)CC(=O)O
InChIKey
AMHZIUVRYRVYBA-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)

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Work with Cyclocreatine

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

Ethylenediaminetetraacetic acid60-00-442 % similar Dota (chelator)60239-18-142 % similar 2-Oxo-1-pyrrolidineacetic acid53934-76-242 % similar Pentetic acid67-43-641 % similar Triethylenetetraminehexaacetic acid869-52-341 % similar Nitrilotriacetic acid139-13-940 % similar PDTA1939-36-239 % similar Hexamethylenediaminetetraacetic acid1633-00-738 % similar

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

Same formula

tert-Butoxycarbonyl azide1070-19-5

Elsewhere

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