chempirical

L-Alanyl-L-proline

C8H14N2O3CAS 13485-59-1186.21 g/mol

Open in Covalent MOL file
NH2ONOHO
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H14N2O3
Molar mass
186.21 g/mol
Exact mass
186.1004 Da
logP
-0.59Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
13485-59-1
SMILES
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O
InChIKey
WPWUFUBLGADILS-WDSKDSINSA-N
InChI
InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • L-Proline, L-alanyl-
  • Proline, 1-L-alanyl-, L-
  • L-Proline, 1-L-alanyl-
  • Proline, 1-L-alanyl-
  • L-α-Alanyl-L-proline
  • Alanylproline
  • N-Alanylproline
  • NSC 97932
  • 443: PN: WO2005081628 SEQID: 445 claimed protein
  • 101: PN: US20070066537 PAGE: 17 claimed protein
  • 150: PN: EP2161028 PAGE: 10 claimed protein
  • 76: PN: WO2011146121 PAGE: 115 claimed sequence
  • 12: PN: WO2014170713 SEQID: 112 claimed protein
  • 3: PN: WO2019040282 PAGE: 70 claimed sequence
  • 2: PN: WO2020023418 PAGE: 66 claimed sequence
  • 20: PN: WO2020097235 SEQID: 249 claimed protein

Work with L-Alanyl-L-proline

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

Captopril62571-86-262 % similar Ac-dl-pro-oh1074-79-961 % similar N-Acetyl-L-proline68-95-161 % similar 1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline64838-55-755 % similar Glycyl-L-proline704-15-454 % similar 1-(2-Chloroacetyl)-L-proline23500-10-951 % similar N-Methyl-L-proline475-11-649 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysyl-L-proline103300-89-648 % similar

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

Same formula

Ethyl 3-oxo-2-piperazineacetate33422-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook