chempirical

D-Cyclopropylalanine

C6H11NO2CAS 121786-39-8129.16 g/mol

Open in Covalent MOL file
OHOH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
logP
0.20Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
121786-39-8
SMILES
C1CC1C[C@H](C(=O)O)N
InChIKey
XGUXJMWPVJQIHI-RXMQYKEDSA-N
InChI
InChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)/t5-/m1/s1

Weigh it out

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

Work with D-Cyclopropylalanine

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

L-Homocyclohexyl alanine116622-38-962 % similar Diaminopimelic acid583-93-762 % similar D-Leucine328-38-161 % similar Leucine328-39-261 % similar Leucine61-90-561 % similar 4-Fluoroglutamic acid2708-77-259 % similar L-2,4-Diaminobutyric acid1758-80-157 % similar Homoserine1927-25-957 % similar

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

Same formula

L-Cyclopropylalanine102735-53-5 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2 α-Aminocyclobutaneacetic acid28024-69-3 Pipecolic acid3105-95-1

Elsewhere

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