Input interpretation
s-2-(boronoethyl)-L-cysteine
Chemical names and formulas
![formula | C_5H_13BNO_5S Hill formula | BC_5H_13NO_5S name | s-2-(boronoethyl)-L-cysteine IUPAC name | 2-amino-3-{[2-(trihydroxy-$l^{4}-boranyl)ethyl]sulfanyl}propanoic acid mass fractions | B (boron) 5.15% | C (carbon) 28.6% | H (hydrogen) 6.24% | N (nitrogen) 6.67% | O (oxygen) 38.1% | S (sulfur) 15.3%](../image_source/9218dd3699b0cb34d3e1a37aa59c74af.png)
formula | C_5H_13BNO_5S Hill formula | BC_5H_13NO_5S name | s-2-(boronoethyl)-L-cysteine IUPAC name | 2-amino-3-{[2-(trihydroxy-$l^{4}-boranyl)ethyl]sulfanyl}propanoic acid mass fractions | B (boron) 5.15% | C (carbon) 28.6% | H (hydrogen) 6.24% | N (nitrogen) 6.67% | O (oxygen) 38.1% | S (sulfur) 15.3%
Basic properties
molar mass | 210 g/mol phase | solid (at STP)
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | -2.96 predicted LogS | -2.32
Basic drug properties
approval status | experimental | small molecule
Chemical identifiers
(O)O)C(O)=O InChI identifier | InChI=1/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10, 11)12/h4, 10-12H, 1-3, 7H2, (H, 8, 9)/f/h8H InChI key | PTAXROQIMJHCAK-FZOZFQFYCI](../image_source/58ba110e84712ad9b55f85ee5fa9ff55.png)
PubChem SID number | 7890354 SMILES identifier | NC(CSCC[B](O)(O)O)C(O)=O InChI identifier | InChI=1/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10, 11)12/h4, 10-12H, 1-3, 7H2, (H, 8, 9)/f/h8H InChI key | PTAXROQIMJHCAK-FZOZFQFYCI